[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.400 - 1.600
- Minimum stability (T80, hours): 57
- Initial efficiency (JV_default_PCE, %): 8.3
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_32996
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | Perovskite | Spiro-MeOTAD | Au
_film_thickness_nm: 340.0
_deposition_procedure: Spin-coating
_anneal_temperature_C: 105.0
_anneal_time_min: 40.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.5
_targets.T80_hours: 72
_initial.JV_default_PCE_percent: 8.3


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: FA, MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.430 - 1.630
- Minimum stability (T80, hours): 24
- Initial efficiency (JV_default_PCE, %): nan
- Soft geometry constraints: t in [0.93, 1.03], μ in [0.49, 0.59] (target t≈0.98, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_14867
_chemical_formula_sum: FA0.85MA0.15PbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | Perovskite | Spiro-MeOTAD | Au
_film_thickness_nm: 350.0
_deposition_procedure: Spin-coating
_anneal_temperature_C: 150.0
_anneal_time_min: 30.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
FA 0.85
MA 0.15
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9753
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.53
_targets.T80_hours: 30
_initial.JV_default_PCE_percent: nan


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: Cs, FA, MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.410 - 1.610
- Minimum stability (T80, hours): 600
- Initial efficiency (JV_default_PCE, %): 19.4
- Soft geometry constraints: t in [0.90, 1.00], μ in [0.49, 0.59] (target t≈0.95, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_22642
_chemical_formula_sum: Cs0.1FA0.54MA0.36PbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | TiO2-c | TiO2-mp | TiO2-mp | Perovskite | Spiro-MeOTAD | Au
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 150.0
_anneal_time_min: UNKNOWN
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
FA 0.54
MA 0.36
Cs 0.1
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9460
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.51
_targets.T80_hours: 750
_initial.JV_default_PCE_percent: 19.4


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 80
- Initial efficiency (JV_default_PCE, %): 10.4
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_14887
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | PEDOT:PSS | Perovskite | PCBM-60 | Al
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 85.0
_anneal_time_min: UNKNOWN
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 100
_initial.JV_default_PCE_percent: 10.4


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 1
- Initial efficiency (JV_default_PCE, %): 13.0
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_19982
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | PEDOT:PSS | Perovskite | PCBM-60 | Al
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 80.0
_anneal_time_min: 15.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 0
_initial.JV_default_PCE_percent: 13.0


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 48
- Initial efficiency (JV_default_PCE, %): 13.7
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_37794
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | PEDOT:PSS | Perovskite | PCBM-60 | PEI | Ag
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 10.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 60
_initial.JV_default_PCE_percent: 13.7


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 172
- Initial efficiency (JV_default_PCE, %): nan
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_5978
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | TiO2-mp | Perovskite | Spiro-MeOTAD | Au
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 30.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 216
_initial.JV_default_PCE_percent: nan


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 384
- Initial efficiency (JV_default_PCE, %): 9.7
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_17145
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | Perovskite | Spiro-MeOTAD | Au
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: UNKNOWN
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 480
_initial.JV_default_PCE_percent: 9.7


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: BA, MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 2D
- Band gap window (eV): 1.520 - 1.720
- Minimum stability (T80, hours): 1008
- Initial efficiency (JV_default_PCE, %): nan
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_37410
_chemical_formula_sum: BA2MA3Pb4I13
_perovskite_dimension: 2D
_stack_sequence: SLG | FTO | TiO2-c | Perovskite | Spiro-MeOTAD | Au
_film_thickness_nm: 700.0
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 10.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 0.6
BA 0.4
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.62
_targets.T80_hours: 1260
_initial.JV_default_PCE_percent: nan


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 1
- Initial efficiency (JV_default_PCE, %): 16.7
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_33989
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | Perovskite | Spiro-MeOTAD | Au
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: UNKNOWN
_anneal_time_min: UNKNOWN
_anneal_atmosphere: UNKNOWN
_encapsulation: Yes

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 2
_initial.JV_default_PCE_percent: 16.7


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 200
- Initial efficiency (JV_default_PCE, %): 15.4
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_2016
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | TiO2-mp | Perovskite | Spiro-MeOTAD | Au
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: -173.14999999999998
_anneal_time_min: UNKNOWN
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 250
_initial.JV_default_PCE_percent: 15.4


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: FA, MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.446 - 1.646
- Minimum stability (T80, hours): 280
- Initial efficiency (JV_default_PCE, %): 18.1
- Soft geometry constraints: t in [0.90, 1.00], μ in [0.49, 0.59] (target t≈0.95, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_18827
_chemical_formula_sum: FAMAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | TiO2-mp | Perovskite | Spiro-MeOTAD | Ag
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 60.0
_anneal_time_min: UNKNOWN
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
FA 0.5
MA 0.5
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9491
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.546
_targets.T80_hours: 350
_initial.JV_default_PCE_percent: 18.1


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 4
- Initial efficiency (JV_default_PCE, %): 11.7
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_32265
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | PEDOT:PSS | Perovskite | PCBM-60 | Ag
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 30.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 5
_initial.JV_default_PCE_percent: 11.7


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 6
- Initial efficiency (JV_default_PCE, %): 12.7
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_31539
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | Perovskite | Spiro-MeOTAD | Ag
_film_thickness_nm: 400.0
_deposition_procedure: Spin-coating
_anneal_temperature_C: 95.0
_anneal_time_min: 90.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 8
_initial.JV_default_PCE_percent: 12.7


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 152
- Initial efficiency (JV_default_PCE, %): nan
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_30863
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | PEDOT:PSS | Perovskite | C60 | BCP | Au
_film_thickness_nm: 300.0
_deposition_procedure: Spin-coating
_anneal_temperature_C: 60.0
_anneal_time_min: UNKNOWN
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 190
_initial.JV_default_PCE_percent: nan


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 10
- Initial efficiency (JV_default_PCE, %): nan
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_5577
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | NiO-c | Perovskite | C60 | Ag
_film_thickness_nm: 300.0
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 10.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 13
_initial.JV_default_PCE_percent: nan


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 1
- Initial efficiency (JV_default_PCE, %): 13.5
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_36581
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | PEDOT:PSS | Perovskite | PCBM-60 | AZO-np | Al | Ag
_film_thickness_nm: 275.0
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 5.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 0
_initial.JV_default_PCE_percent: 13.5


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 400
- Initial efficiency (JV_default_PCE, %): 9.0
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_18433
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | TiO2-mp | Perovskite | Spiro-MeOTAD | Au
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: UNKNOWN
_anneal_time_min: UNKNOWN
_anneal_atmosphere: UNKNOWN
_encapsulation: Yes

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 500
_initial.JV_default_PCE_percent: 9.0


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 640
- Initial efficiency (JV_default_PCE, %): 18.7
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_3768
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | TiO2-c | Perovskite | Spiro-MeOTAD | Au
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 10.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 800
_initial.JV_default_PCE_percent: 18.7


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: Cs, FA, MA
- Allowed B-site ions: Pb
- Allowed X-site ions: Br, I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 40
- Initial efficiency (JV_default_PCE, %): 16.7
- Soft geometry constraints: t in [0.92, 1.02], μ in [0.50, 0.60] (target t≈0.97, μ≈0.55)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_40588
_chemical_formula_sum: Cs0.05FA0.83MA0.17PbBr0.51I2.49
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | Perovskite | Spiro-MeOTAD | Au
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 40.0
_anneal_atmosphere: ar
_encapsulation: No

loop_
_site A_ion occupancy
FA 0.7905
MA 0.1619
Cs 0.0476
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 0.83
Br 0.17

_geometry.t_goldschmidt: 0.9712
_geometry.mu_octahedral: 0.5511

_targets.band_gap_eV: 1.6
_targets.T80_hours: 50
_initial.JV_default_PCE_percent: 16.7


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.450 - 1.650
- Minimum stability (T80, hours): 400
- Initial efficiency (JV_default_PCE, %): 12.0
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_40872
_chemical_formula_sum: MAPb1.0I3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | Graphne oxide | Perovskite | PCBM-60 | BCP | Ag
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 80.0
_anneal_time_min: 120.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.55
_targets.T80_hours: 500
_initial.JV_default_PCE_percent: 12.0


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 240
- Initial efficiency (JV_default_PCE, %): 17.5
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_28509
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | NiO-c | Perovskite | PN-F25 | Ag
_film_thickness_nm: 350.0
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 15.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 300
_initial.JV_default_PCE_percent: 17.5


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 305
- Initial efficiency (JV_default_PCE, %): 12.8
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_17029
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | NiO-np | Perovskite | PCBM-60 | Zr(acac)4 | Ag
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 30.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 381
_initial.JV_default_PCE_percent: 12.8


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 32
- Initial efficiency (JV_default_PCE, %): 7.9
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_16217
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | TiO2-mp | Perovskite | Carbon
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 5.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 40
_initial.JV_default_PCE_percent: 7.9


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 118
- Initial efficiency (JV_default_PCE, %): nan
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_31321
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | TiO2-mp | Perovskite | Spiro-MeOTAD | Au
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 60.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 148
_initial.JV_default_PCE_percent: nan


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: FA, MA
- Allowed B-site ions: Pb, Sn
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.230 - 1.430
- Minimum stability (T80, hours): 360
- Initial efficiency (JV_default_PCE, %): 12.2
- Soft geometry constraints: t in [0.88, 0.98], μ in [0.49, 0.59] (target t≈0.93, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_34605
_chemical_formula_sum: FA0.25MA0.75Pb0.75Sn0.25I3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | PEDOT:PSS | Perovskite | PCBM-60 | BCP | Ag
_film_thickness_nm: 400.0
_deposition_procedure: Blade-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 5.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 0.75
FA 0.25
loop_
_site B_ion occupancy
Pb 0.75
Sn 0.25
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9310
_geometry.mu_octahedral: 0.5398

_targets.band_gap_eV: 1.33
_targets.T80_hours: 450
_initial.JV_default_PCE_percent: 12.2


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 19
- Initial efficiency (JV_default_PCE, %): nan
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_37136
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | Perovskite | Spiro-MeOTAD | MoO3 | Ag
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 10.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 24
_initial.JV_default_PCE_percent: nan


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 2
- Initial efficiency (JV_default_PCE, %): 11.3
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_32256
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | PEDOT:PSS | Perovskite | PCBM-60 | PFN | Al
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 75.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 3
_initial.JV_default_PCE_percent: 11.3


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 40
- Initial efficiency (JV_default_PCE, %): 11.2
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_31235
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | TiO2-mp | Perovskite | Spiro-MeOTAD | Ag
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 70.0
_anneal_time_min: UNKNOWN
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 51
_initial.JV_default_PCE_percent: 11.2


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: FA, MA
- Allowed B-site ions: Ge, Sn
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.300 - 1.500
- Minimum stability (T80, hours): 1
- Initial efficiency (JV_default_PCE, %): 4.5
- Soft geometry constraints: t in [0.92, 1.02], μ in [0.49, 0.59] (target t≈0.97, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_16192
_chemical_formula_sum: FA0.75MA0.25Ge0.05Sn0.95I3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | PEDOT:PSS | Perovskite | C60 | BCP | Ag | Au
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 70.0
_anneal_time_min: 10.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
FA 0.75
MA 0.25
loop_
_site B_ion occupancy
Sn 0.95
Ge 0.05
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9707
_geometry.mu_octahedral: 0.5364

_targets.band_gap_eV: 1.4
_targets.T80_hours: 1
_initial.JV_default_PCE_percent: 4.5


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 4
- Initial efficiency (JV_default_PCE, %): 16.5
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_41951
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | TiO2-mp | Carbon-QDs | Perovskite | Spiro-MeOTAD | Au
_film_thickness_nm: 320.0
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 60.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 5
_initial.JV_default_PCE_percent: 16.5


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 1
- Initial efficiency (JV_default_PCE, %): 5.5
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_80
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | PEDOT:PSS | Perovskite | PCBM-60 | BCP | Al
_film_thickness_nm: 200.0
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 15.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 0
_initial.JV_default_PCE_percent: 5.5


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: FA
- Allowed B-site ions: Sn
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.260 - 1.460
- Minimum stability (T80, hours): 144
- Initial efficiency (JV_default_PCE, %): 5.2
- Soft geometry constraints: t in [0.94, 1.04], μ in [0.49, 0.59] (target t≈0.99, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_21652
_chemical_formula_sum: FASnI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | PEDOT:PSS | Perovskite | PCBM-60 | BCP | Ag
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 30.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
FA 1.0
loop_
_site B_ion occupancy
Sn 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9895
_geometry.mu_octahedral: 0.5364

_targets.band_gap_eV: 1.36
_targets.T80_hours: 180
_initial.JV_default_PCE_percent: 5.2


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 64
- Initial efficiency (JV_default_PCE, %): 3.3
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_3827
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | Perovskite | Spiro-MeOTAD | Au
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 110.0
_anneal_time_min: 2.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 80
_initial.JV_default_PCE_percent: 3.3


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: FA
- Allowed B-site ions: Sn
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.260 - 1.460
- Minimum stability (T80, hours): 136
- Initial efficiency (JV_default_PCE, %): 5.3
- Soft geometry constraints: t in [0.94, 1.04], μ in [0.49, 0.59] (target t≈0.99, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_37598
_chemical_formula_sum: FASnI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | PCBM-60 | BCP | Perovskite | PEDOT:PSS | Al | Ag
_film_thickness_nm: 250.0
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 10.0
_anneal_atmosphere: UNKNOWN
_encapsulation: Yes

loop_
_site A_ion occupancy
FA 1.0
loop_
_site B_ion occupancy
Sn 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9895
_geometry.mu_octahedral: 0.5364

_targets.band_gap_eV: 1.36
_targets.T80_hours: 170
_initial.JV_default_PCE_percent: 5.3


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 57
- Initial efficiency (JV_default_PCE, %): 15.1
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_28994
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | NiO-np | Perovskite | PCBM-60 | BCP | Au
_film_thickness_nm: 400.0
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 10.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 72
_initial.JV_default_PCE_percent: 15.1


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 60
- Initial efficiency (JV_default_PCE, %): 12.5
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_28373
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | PEDOT:PSS | Perovskite | PCBM-60 | LiF | Al
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 10.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 75
_initial.JV_default_PCE_percent: 12.5


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 134
- Initial efficiency (JV_default_PCE, %): 7.0
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_32790
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | AZO | PCBM-60 | Perovskite | P3HT | Au
_film_thickness_nm: 430.0
_deposition_procedure: Spin-coating
_anneal_temperature_C: 20.0
_anneal_time_min: UNKNOWN
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 168
_initial.JV_default_PCE_percent: 7.0


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 288
- Initial efficiency (JV_default_PCE, %): 13.2
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_7303
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | TiO2-mp | Perovskite | Spiro-MeOTAD | Ag
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 30.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 360
_initial.JV_default_PCE_percent: 13.2


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 6
- Initial efficiency (JV_default_PCE, %): 11.6
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_32259
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | Al-np; PEDOT:PSS | Perovskite | PCBM-60 | PFN | Al
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 75.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 8
_initial.JV_default_PCE_percent: 11.6


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 384
- Initial efficiency (JV_default_PCE, %): 15.1
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_11296
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | Perovskite | Spiro-MeOTAD | Au
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 80.0
_anneal_time_min: UNKNOWN
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 480
_initial.JV_default_PCE_percent: 15.1


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA, PEA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 2D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 1171
- Initial efficiency (JV_default_PCE, %): 12.8
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_22546
_chemical_formula_sum: (PEA)2MA5Pb6I19
_perovskite_dimension: 2D
_stack_sequence: SLG | ITO | PEDOT:PSS | Perovskite | PCBM-60 | LiF | Al
_film_thickness_nm: 300.0
_deposition_procedure: Spin-coating
_anneal_temperature_C: 60.0
_anneal_time_min: UNKNOWN
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 0.7143
PEA 0.2857
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 1464
_initial.JV_default_PCE_percent: 12.8


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 24
- Initial efficiency (JV_default_PCE, %): nan
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_14601
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | NiCo2O4 | Perovskite | C60; PCBM-60 | Zr(acac)4 | Ag
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 10.0
_anneal_atmosphere: UNKNOWN
_encapsulation: Yes

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 30
_initial.JV_default_PCE_percent: nan


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: Cs, FA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.409 - 1.609
- Minimum stability (T80, hours): 80
- Initial efficiency (JV_default_PCE, %): 14.8
- Soft geometry constraints: t in [0.92, 1.02], μ in [0.49, 0.59] (target t≈0.97, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_27600
_chemical_formula_sum: Cs0.1FA0.9PbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | TiO2-mp | Perovskite | Spiro-MeOTAD | Au
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: -113.14999999999998
_anneal_time_min: UNKNOWN
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
FA 0.9
Cs 0.1
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9731
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.509
_targets.T80_hours: 100
_initial.JV_default_PCE_percent: 14.8


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 40
- Initial efficiency (JV_default_PCE, %): 18.6
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_40985
_chemical_formula_sum: MAPb1.0I3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | TiO2-mp | Perovskite | Spiro-MeOTAD | Au
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 20.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 50
_initial.JV_default_PCE_percent: 18.6


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: Cs
- Allowed B-site ions: Pb
- Allowed X-site ions: Br, I
- Preferred perovskite dimensionality: 0D
- Band gap window (eV): 1.720 - 1.920
- Minimum stability (T80, hours): 1
- Initial efficiency (JV_default_PCE, %): nan
- Soft geometry constraints: t in [0.85, 0.90], μ in [0.51, 0.61] (target t≈0.85, μ≈0.56)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_37778
_chemical_formula_sum: CsPbBrI2
_perovskite_dimension: 0D
_stack_sequence: SLG | ITO | TiO2-c | Perovskite | P3HT | Au
_film_thickness_nm: 200.0
_deposition_procedure: Spin-coating
_anneal_temperature_C: 265.0
_anneal_time_min: UNKNOWN
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
Cs 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 0.6667
Br 0.3333

_geometry.t_goldschmidt: 0.8545
_geometry.mu_octahedral: 0.5613

_targets.band_gap_eV: 1.82
_targets.T80_hours: 0
_initial.JV_default_PCE_percent: nan


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: FA, MA
- Allowed B-site ions: Pb
- Allowed X-site ions: Br, I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 1
- Initial efficiency (JV_default_PCE, %): 18.8
- Soft geometry constraints: t in [0.93, 1.03], μ in [0.50, 0.60] (target t≈0.98, μ≈0.55)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_2780
_chemical_formula_sum: FA0.85MA0.15PbBr0.45I2.55
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | TiO2-mp | Perovskite | Spiro-MeOTAD | Au
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 90.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
FA 0.85
MA 0.15
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 0.85
Br 0.15

_geometry.t_goldschmidt: 0.9782
_geometry.mu_octahedral: 0.5499

_targets.band_gap_eV: 1.6
_targets.T80_hours: 1
_initial.JV_default_PCE_percent: 18.8


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 16
- Initial efficiency (JV_default_PCE, %): 18.0
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_12311
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | TiO2-mp | Perovskite | PTAA | Au
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 20.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 20
_initial.JV_default_PCE_percent: 18.0


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 1
- Initial efficiency (JV_default_PCE, %): 11.0
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_32457
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | ZnO-np | Perovskite | P3HT | P3HT; PMMA | Ag
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: UNKNOWN
_anneal_time_min: UNKNOWN
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 0
_initial.JV_default_PCE_percent: 11.0


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: FA, MA
- Allowed B-site ions: Pb
- Allowed X-site ions: Br, I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 288
- Initial efficiency (JV_default_PCE, %): 17.6
- Soft geometry constraints: t in [0.93, 1.03], μ in [0.50, 0.60] (target t≈0.98, μ≈0.55)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_4117
_chemical_formula_sum: FA0.85MA0.15PbBr0.45I2.55
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | TiO2-mp | Perovskite | Spiro-MeOTAD | Au
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 60.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
FA 0.85
MA 0.15
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 0.85
Br 0.15

_geometry.t_goldschmidt: 0.9782
_geometry.mu_octahedral: 0.5499

_targets.band_gap_eV: 1.6
_targets.T80_hours: 360
_initial.JV_default_PCE_percent: 17.6


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 92
- Initial efficiency (JV_default_PCE, %): 16.6
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_21680
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | PTAA | Perovskite | PCBM-60 | Cu
_film_thickness_nm: 420.0
_deposition_procedure: Spin-coating
_anneal_temperature_C: -173.14999999999998
_anneal_time_min: UNKNOWN
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 115
_initial.JV_default_PCE_percent: 16.6


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 384
- Initial efficiency (JV_default_PCE, %): 8.1
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_14527
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | PEDOT:PSS | Perovskite | PCBM-60 | Ca | Al
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: UNKNOWN
_anneal_time_min: UNKNOWN
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 480
_initial.JV_default_PCE_percent: 8.1


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.480 - 1.680
- Minimum stability (T80, hours): 172
- Initial efficiency (JV_default_PCE, %): 14.4
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_28100
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | ITO | PEDOT:PSS | Perovskite | pBTT | Ag
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 100.0
_anneal_time_min: 20.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.58
_targets.T80_hours: 216
_initial.JV_default_PCE_percent: 14.4


[User]
You are a materials design assistant. Produce a CIF-LITE block that encodes a halide perovskite candidate meeting the constraints.

Constraints:
- Allowed A-site ions: MA
- Allowed B-site ions: Pb
- Allowed X-site ions: I
- Preferred perovskite dimensionality: 3D
- Band gap window (eV): 1.500 - 1.700
- Minimum stability (T80, hours): 307
- Initial efficiency (JV_default_PCE, %): 17.4
- Soft geometry constraints: t in [0.86, 0.96], μ in [0.49, 0.59] (target t≈0.91, μ≈0.54)
- Notes: Prefer processing similar to exemplars. Use LONG composition strings.

Return only this block:

# CIF-LITE v1
data_id: <free text label>
_chemical_formula_sum: <LONG composition string>
_perovskite_dimension: <3D|2D|2D3D|UNKNOWN>
_stack_sequence: <free text or UNKNOWN>
_film_thickness_nm: <number or UNKNOWN>
_deposition_procedure: <spin|blade|evap|spray|inkjet|UNKNOWN>
_anneal_temperature_C: <number or UNKNOWN>
_anneal_time_min: <number or UNKNOWN>
_anneal_atmosphere: <air|N2|vacuum|solvent_vapor|UNKNOWN>
_encapsulation: <Yes|No|UNKNOWN>

loop_
_site A_ion occupancy
<A_LOOP_ROWS>
loop_
_site B_ion occupancy
<B_LOOP_ROWS>
loop_
_site X_ion occupancy
<X_LOOP_ROWS>

_targets.band_gap_eV: <PREDICTED_Eg>
_targets.T80_hours: <PREDICTED_T80>

[Assistant]
# CIF-LITE v1
data_id: PD_32164
_chemical_formula_sum: MAPbI3
_perovskite_dimension: 3D
_stack_sequence: SLG | FTO | TiO2-c | TiO2-mp | Perovskite | HTM | Au
_film_thickness_nm: UNKNOWN
_deposition_procedure: Spin-coating
_anneal_temperature_C: 110.0
_anneal_time_min: 60.0
_anneal_atmosphere: UNKNOWN
_encapsulation: No

loop_
_site A_ion occupancy
MA 1.0
loop_
_site B_ion occupancy
Pb 1.0
loop_
_site X_ion occupancy
I 1.0

_geometry.t_goldschmidt: 0.9115
_geometry.mu_octahedral: 0.5409

_targets.band_gap_eV: 1.6
_targets.T80_hours: 384
_initial.JV_default_PCE_percent: 17.4