action_type stringclasses 13
values | problem_id stringlengths 36 36 | mp_id stringlengths 6 10 | action_prompt stringlengths 39 448 | input stringlengths 1.11k 8.33k | output stringlengths 595 61.6k |
|---|---|---|---|---|---|
DeleteAroundAtomAction | f36217e2-288f-4a5f-bdd9-9d2a90490738 | mp-1112637 | Delete all atoms within 2.119 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Cs2TlCuF6
_chemical_formula_sum "Cs2 Tl1 Cu1 F6"
_cell_length_a 6.35045246
_cell_length_b 6.3504524600000005
_cell_length_c 6.35045246
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999... | data_image0
_chemical_formula_structural Cs2TlF5
_chemical_formula_sum "Cs2 Tl1 F5"
_cell_length_a 6.35045246
_cell_length_b 6.3504524600000005
_cell_length_c 6.35045246
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999999... |
DeleteAroundAtomAction | d1be8ed7-28ac-4080-b12b-a8902df18f39 | mp-1245065 | Delete all atoms within 2.193 angstrom around the atom at index 75 in the cif file. | data_image0
_chemical_formula_structural Al40O60
_chemical_formula_sum "Al40 O60"
_cell_length_a 10.70168287
_cell_length_b 10.210161070000002
_cell_length_c 10.265134760000002
_cell_angle_alpha 94.11714713
_cell_angle_beta 87.6274472
_cell_angle_gamma 99.61043361999998
_... | data_image0
_chemical_formula_structural Al37O59
_chemical_formula_sum "Al37 O59"
_cell_length_a 10.70168287
_cell_length_b 10.210161070000002
_cell_length_c 10.265134760000002
_cell_angle_alpha 94.11714713
_cell_angle_beta 87.6274472
_cell_angle_gamma 99.61043361999998
_... |
DeleteAroundAtomAction | f040acd2-dc62-4f51-9c71-3bb536676798 | mp-769928 | Delete all atoms within 3.949 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Li4NbV3O8
_chemical_formula_sum "Li4 Nb1 V3 O8"
_cell_length_a 10.57866778
_cell_length_b 10.59538098
_cell_length_c 14.99564377
_cell_angle_alpha 19.144615920000003
_cell_angle_beta 19.151666330000012
_cell_angle_gamma 33.044523140... | data_image0
_chemical_formula_structural Li
_chemical_formula_sum "Li1"
_cell_length_a 10.57866778
_cell_length_b 10.59538098
_cell_length_c 14.99564377
_cell_angle_alpha 19.144615920000003
_cell_angle_beta 19.151666330000012
_cell_angle_gamma 33.04452314000001
_space_gro... |
DeleteAroundAtomAction | 9c8a8622-1673-4109-b451-ff54d2c2730c | mp-26845 | Delete all atoms within 1.876 angstrom around the atom at index 37 in the cif file. | data_image0
_chemical_formula_structural Li6Mn4P6O24
_chemical_formula_sum "Li6 Mn4 P6 O24"
_cell_length_a 8.81995309
_cell_length_b 8.81995309
_cell_length_c 11.515695880000003
_cell_angle_alpha 45.84620983999999
_cell_angle_beta 45.84620983999999
_cell_angle_gamma 60.270... | data_image0
_chemical_formula_structural Li6Mn4P5O23
_chemical_formula_sum "Li6 Mn4 P5 O23"
_cell_length_a 8.81995309
_cell_length_b 8.81995309
_cell_length_c 11.515695880000003
_cell_angle_alpha 45.84620983999999
_cell_angle_beta 45.84620983999999
_cell_angle_gamma 60.270... |
DeleteAroundAtomAction | f40258f3-3751-4761-8446-da851eb202bc | mp-1208346 | Delete all atoms within 3.773 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Tb4Fe4B16
_chemical_formula_sum "Tb4 Fe4 B16"
_cell_length_a 3.42877021
_cell_length_b 5.90351878
_cell_length_c 11.43350165
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Tb2Fe2B7
_chemical_formula_sum "Tb2 Fe2 B7"
_cell_length_a 3.42877021
_cell_length_b 5.90351878
_cell_length_c 11.43350165
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
DeleteAroundAtomAction | 042f4d1c-8905-4349-8277-3df1c635bbb2 | mp-1369271 | Delete all atoms within 2.882 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural Ti2Zn4Sb2O12
_chemical_formula_sum "Ti2 Zn4 Sb2 O12"
_cell_length_a 7.86177
_cell_length_b 5.296439
_cell_length_c 5.34563952
_cell_angle_alpha 88.86624839
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural TiZnSbO5
_chemical_formula_sum "Ti1 Zn1 Sb1 O5"
_cell_length_a 7.86177
_cell_length_b 5.296439
_cell_length_c 5.34563952
_cell_angle_alpha 88.86624839
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
DeleteAroundAtomAction | d44fa847-a05e-446f-99b2-a394349c2907 | mp-2217604 | Delete all atoms within 2.796 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural La2MgNi2O6
_chemical_formula_sum "La2 Mg1 Ni2 O6"
_cell_length_a 6.56906692
_cell_length_b 5.819623720000001
_cell_length_c 5.53164284
_cell_angle_alpha 68.87395837
_cell_angle_beta 65.37223024
_cell_angle_gamma 49.43208672000001
_... | data_image0
_chemical_formula_structural LaMgNi2O
_chemical_formula_sum "La1 Mg1 Ni2 O1"
_cell_length_a 6.56906692
_cell_length_b 5.819623720000001
_cell_length_c 5.53164284
_cell_angle_alpha 68.87395837
_cell_angle_beta 65.37223024
_cell_angle_gamma 49.43208672000001
_sp... |
DeleteAroundAtomAction | 99366d7c-9146-4f49-bd3e-df1ad23a664c | mp-722271 | Delete all atoms within 2.579 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural H28Ru2S4N8O12
_chemical_formula_sum "H28 Ru2 S4 N8 O12"
_cell_length_a 7.091792
_cell_length_b 6.315075
_cell_length_c 11.76688332
_cell_angle_alpha 65.59141609
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural H24Ru2S4N7O11
_chemical_formula_sum "H24 Ru2 S4 N7 O11"
_cell_length_a 7.091792
_cell_length_b 6.315075
_cell_length_c 11.76688332
_cell_angle_alpha 65.59141609
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
DeleteAroundAtomAction | b3a8ffb6-54f5-48d7-af3e-2fbed1ac0105 | mp-1040333 | Delete all atoms within 2.503 angstrom around the atom at index 41 in the cif file. | data_image0
_chemical_formula_structural Mg30TiCO32
_chemical_formula_sum "Mg30 Ti1 C1 O32"
_cell_length_a 8.489816
_cell_length_b 8.489816
_cell_length_c 8.641078
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Mg24TiCO31
_chemical_formula_sum "Mg24 Ti1 C1 O31"
_cell_length_a 8.489816
_cell_length_b 8.489816
_cell_length_c 8.641078
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
DeleteAroundAtomAction | ff395c0f-8a70-4094-bdf0-80ea7f8f10c8 | mp-1195087 | Delete all atoms within 3.195 angstrom around the atom at index 16 in the cif file. | data_image0
_chemical_formula_structural Tl16Pb4Se12
_chemical_formula_sum "Tl16 Pb4 Se12"
_cell_length_a 8.55506407
_cell_length_b 8.55506407
_cell_length_c 13.07682448
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Tl16Pb3Se11
_chemical_formula_sum "Tl16 Pb3 Se11"
_cell_length_a 8.55506407
_cell_length_b 8.55506407
_cell_length_c 13.07682448
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
DeleteAroundAtomAction | b8cda695-9c36-45d3-afb7-edfc80f6527e | mp-1227155 | Delete all atoms within 3.866 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Ca4Mg4Zn4
_chemical_formula_sum "Ca4 Mg4 Zn4"
_cell_length_a 5.84729168
_cell_length_b 5.84729168
_cell_length_c 9.666851
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.83482357
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Zn3
_chemical_formula_sum "Zn3"
_cell_length_a 5.84729168
_cell_length_b 5.84729168
_cell_length_c 9.666851
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.83482357
_space_group_name_H-M_alt "P 1"
_space_group... |
DeleteAroundAtomAction | bd9b7d86-34f5-485e-96f6-ffe9a4304fb9 | mp-1210688 | Delete all atoms within 2.811 angstrom around the atom at index 37 in the cif file. | data_image0
_chemical_formula_structural Na11TiNb2Si4P2O24F2
_chemical_formula_sum "Na11 Ti1 Nb2 Si4 P2 O24 F2"
_cell_length_a 5.617235
_cell_length_b 7.28603345
_cell_length_c 14.706664049999999
_cell_angle_alpha 92.80692553
_cell_angle_beta 95.61673149
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Na8TiNb2Si4PO20F2
_chemical_formula_sum "Na8 Ti1 Nb2 Si4 P1 O20 F2"
_cell_length_a 5.617235
_cell_length_b 7.28603345
_cell_length_c 14.706664049999999
_cell_angle_alpha 92.80692553
_cell_angle_beta 95.61673149
_cell_angle_gamma 90.... |
DeleteAroundAtomAction | 065c2563-3b60-4b51-859e-bee42d724e89 | mp-1332857 | Delete all atoms within 2.447 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Mn16Zn8O32
_chemical_formula_sum "Mn16 Zn8 O32"
_cell_length_a 6.08388035
_cell_length_b 6.083880349999999
_cell_length_c 20.13315765
_cell_angle_alpha 81.59376542
_cell_angle_beta 81.59376542
_cell_angle_gamma 59.72851362
_space_g... | data_image0
_chemical_formula_structural Mn15Zn8O28
_chemical_formula_sum "Mn15 Zn8 O28"
_cell_length_a 6.08388035
_cell_length_b 6.083880349999999
_cell_length_c 20.13315765
_cell_angle_alpha 81.59376542
_cell_angle_beta 81.59376542
_cell_angle_gamma 59.72851362
_space_g... |
DeleteAroundAtomAction | b7f16e4b-65ab-4d93-927d-f33b5d08a801 | mp-1210254 | Delete all atoms within 2.672 angstrom around the atom at index 17 in the cif file. | data_image0
_chemical_formula_structural Ni4O16F8
_chemical_formula_sum "Ni4 O16 F8"
_cell_length_a 5.372365
_cell_length_b 6.329703
_cell_length_c 11.432453
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural Ni3O14F7
_chemical_formula_sum "Ni3 O14 F7"
_cell_length_a 5.372365
_cell_length_b 6.329703
_cell_length_c 11.432453
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... |
DeleteAroundAtomAction | b7f9a94a-37d3-4400-b7ac-ed3668a5b490 | mp-989179 | Delete all atoms within 2.731 angstrom around the atom at index 16 in the cif file. | data_image0
_chemical_formula_structural Mo8H2S16
_chemical_formula_sum "Mo8 H2 S16"
_cell_length_a 3.144754
_cell_length_b 13.034438
_cell_length_c 29.668735
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural Mo7H2S15
_chemical_formula_sum "Mo7 H2 S15"
_cell_length_a 3.144754
_cell_length_b 13.034438
_cell_length_c 29.668735
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... |
DeleteAroundAtomAction | 0074aae2-8df4-4c91-97b1-11d5affc6680 | mp-1244962 | Delete all atoms within 3.123 angstrom around the atom at index 16 in the cif file. | data_image0
_chemical_formula_structural Mg40O40
_chemical_formula_sum "Mg40 O40"
_cell_length_a 10.36242297
_cell_length_b 9.006326130000001
_cell_length_c 10.174512770000002
_cell_angle_alpha 96.13607717
_cell_angle_beta 88.32727291
_cell_angle_gamma 90.70177381
_space_... | data_image0
_chemical_formula_structural Mg34O34
_chemical_formula_sum "Mg34 O34"
_cell_length_a 10.36242297
_cell_length_b 9.006326130000001
_cell_length_c 10.174512770000002
_cell_angle_alpha 96.13607717
_cell_angle_beta 88.32727291
_cell_angle_gamma 90.70177381
_space_... |
DeleteAroundAtomAction | e7da51b3-d34a-4b48-b23e-6806764d3169 | mp-766138 | Delete all atoms within 3.954 angstrom around the atom at index 28 in the cif file. | data_image0
_chemical_formula_structural Li6Fe4P4O20
_chemical_formula_sum "Li6 Fe4 P4 O20"
_cell_length_a 6.44122171
_cell_length_b 6.44122171
_cell_length_c 8.691184
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.70847916999999
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Li2Fe2PO8
_chemical_formula_sum "Li2 Fe2 P1 O8"
_cell_length_a 6.44122171
_cell_length_b 6.44122171
_cell_length_c 8.691184
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.70847916999999
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 03954716-3fb7-429e-9f47-666adeb2f75c | mp-696780 | Delete all atoms within 1.513 angstrom around the atom at index 28 in the cif file. | data_image0
_chemical_formula_structural Fe2P4H16O20
_chemical_formula_sum "Fe2 P4 H16 O20"
_cell_length_a 9.748221
_cell_length_b 6.066428
_cell_length_c 8.7510914
_cell_angle_alpha 54.75552624
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Fe2P4H15O19
_chemical_formula_sum "Fe2 P4 H15 O19"
_cell_length_a 9.748221
_cell_length_b 6.066428
_cell_length_c 8.7510914
_cell_angle_alpha 54.75552624
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
DeleteAroundAtomAction | 0fe448ff-bdeb-44b7-87bc-0696b4086d23 | mp-1666930 | Delete all atoms within 2.03 angstrom around the atom at index 14 in the cif file. | data_image0
_chemical_formula_structural Li10Cr4Co6O20
_chemical_formula_sum "Li10 Cr4 Co6 O20"
_cell_length_a 5.0762398
_cell_length_b 7.80439641
_cell_length_c 10.159901889999999
_cell_angle_alpha 109.30855762999998
_cell_angle_beta 99.45585543000001
_cell_angle_gamma 70... | data_image0
_chemical_formula_structural Li10Cr4Co5O14
_chemical_formula_sum "Li10 Cr4 Co5 O14"
_cell_length_a 5.0762398
_cell_length_b 7.80439641
_cell_length_c 10.159901889999999
_cell_angle_alpha 109.30855762999998
_cell_angle_beta 99.45585543000001
_cell_angle_gamma 70... |
DeleteAroundAtomAction | b18c8f47-13c4-4811-bac4-1e1794f84af7 | mp-29778 | Delete all atoms within 2.786 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Nd8Ge14
_chemical_formula_sum "Nd8 Ge14"
_cell_length_a 6.03140039
_cell_length_b 7.60319809
_cell_length_c 12.06374994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.36803510000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nd8Ge11
_chemical_formula_sum "Nd8 Ge11"
_cell_length_a 6.03140039
_cell_length_b 7.60319809
_cell_length_c 12.06374994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.36803510000001
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | fbb9c3d7-8a49-4622-9610-d9bf05f349c6 | mp-23702 | Delete all atoms within 2.875 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Li4H8N4
_chemical_formula_sum "Li4 H8 N4"
_cell_length_a 4.93582519
_cell_length_b 4.93582403
_cell_length_c 6.17904506
_cell_angle_alpha 113.54069253
_cell_angle_beta 113.54068121000002
_cell_angle_gamma 89.99999577999999
_space_g... | data_image0
_chemical_formula_structural LiH2
_chemical_formula_sum "Li1 H2"
_cell_length_a 4.93582519
_cell_length_b 4.93582403
_cell_length_c 6.17904506
_cell_angle_alpha 113.54069253
_cell_angle_beta 113.54068121000002
_cell_angle_gamma 89.99999577999999
_space_group_n... |
DeleteAroundAtomAction | 024a420d-06f9-46c6-a1c3-b31828950829 | mp-1208464 | Delete all atoms within 3.085 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural Tb16Mg4Co4
_chemical_formula_sum "Tb16 Mg4 Co4"
_cell_length_a 9.56896751
_cell_length_b 9.56904036
_cell_length_c 9.56899201
_cell_angle_alpha 59.99933482000001
_cell_angle_beta 59.99902591000001
_cell_angle_gamma 59.99920851
_spa... | data_image0
_chemical_formula_structural Tb15Mg4Co
_chemical_formula_sum "Tb15 Mg4 Co1"
_cell_length_a 9.56896751
_cell_length_b 9.56904036
_cell_length_c 9.56899201
_cell_angle_alpha 59.99933482000001
_cell_angle_beta 59.99902591000001
_cell_angle_gamma 59.99920851
_spac... |
DeleteAroundAtomAction | 839d36f5-9027-456f-8415-3e2573e6f045 | mp-1097047 | Delete all atoms within 3.08 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Fe4Cu8B4O20
_chemical_formula_sum "Fe4 Cu8 B4 O20"
_cell_length_a 3.145458
_cell_length_b 9.74670169
_cell_length_c 12.14921419
_cell_angle_alpha 89.4287378
_cell_angle_beta 89.53839224
_cell_angle_gamma 81.59407378
_space_group_na... | data_image0
_chemical_formula_structural Fe3Cu6B2O16
_chemical_formula_sum "Fe3 Cu6 B2 O16"
_cell_length_a 3.145458
_cell_length_b 9.74670169
_cell_length_c 12.14921419
_cell_angle_alpha 89.4287378
_cell_angle_beta 89.53839224
_cell_angle_gamma 81.59407378
_space_group_na... |
DeleteAroundAtomAction | e666a87f-9069-42a9-9215-78b25a497ed6 | mp-1516503 | Delete all atoms within 2.083 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural KHfNbInO6
_chemical_formula_sum "K1 Hf1 Nb1 In1 O6"
_cell_length_a 5.78982912
_cell_length_b 5.78982912
_cell_length_c 5.78982912
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... | data_image0
_chemical_formula_structural KInO5
_chemical_formula_sum "K1 In1 O5"
_cell_length_a 5.78982912
_cell_length_b 5.78982912
_cell_length_c 5.78982912
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space... |
DeleteAroundAtomAction | d7a1f472-ce98-4f7c-82d4-e2b147a5962e | mp-26956 | Delete all atoms within 2.878 angstrom around the atom at index 25 in the cif file. | data_image0
_chemical_formula_structural V4P16O48
_chemical_formula_sum "V4 P16 O48"
_cell_length_a 8.410582
_cell_length_b 9.194688
_cell_length_c 12.866543
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural V4P15O44
_chemical_formula_sum "V4 P15 O44"
_cell_length_a 8.410582
_cell_length_b 9.194688
_cell_length_c 12.866543
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... |
DeleteAroundAtomAction | 12e3bdc3-1fa7-4748-9854-970026fb62b8 | mp-1245617 | Delete all atoms within 3.29 angstrom around the atom at index 18 in the cif file. | data_image0
_chemical_formula_structural Sr8Cr4N8
_chemical_formula_sum "Sr8 Cr4 N8"
_cell_length_a 6.32990167
_cell_length_b 11.49833427
_cell_length_c 12.449538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 24.734643490000014
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sr4Cr3N6
_chemical_formula_sum "Sr4 Cr3 N6"
_cell_length_a 6.32990167
_cell_length_b 11.49833427
_cell_length_c 12.449538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 24.734643490000014
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 25f5a712-444f-4785-91e2-0ed433ba5142 | mp-1105068 | Delete all atoms within 2.063 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural BaYFe4O7
_chemical_formula_sum "Ba1 Y1 Fe4 O7"
_cell_length_a 6.47491245
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamma 87.49632515
_space_g... | data_image0
_chemical_formula_structural BaYFe3O3
_chemical_formula_sum "Ba1 Y1 Fe3 O3"
_cell_length_a 6.47491245
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamma 87.49632515
_space_g... |
DeleteAroundAtomAction | 42328383-0454-42e0-9849-802edbc59e98 | mp-2229983 | Delete all atoms within 3.047 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural MgGe4Bi2O12
_chemical_formula_sum "Mg1 Ge4 Bi2 O12"
_cell_length_a 5.65643612
_cell_length_b 7.5984859600000005
_cell_length_c 7.59848734
_cell_angle_alpha 83.18987735
_cell_angle_beta 76.8823644
_cell_angle_gamma 76.88235691
_spac... | data_image0
_chemical_formula_structural MgGe3BiO8
_chemical_formula_sum "Mg1 Ge3 Bi1 O8"
_cell_length_a 5.65643612
_cell_length_b 7.5984859600000005
_cell_length_c 7.59848734
_cell_angle_alpha 83.18987735
_cell_angle_beta 76.8823644
_cell_angle_gamma 76.88235691
_space_g... |
DeleteAroundAtomAction | 424e1026-a767-4a98-9518-87507d6bb04f | mp-1320208 | Delete all atoms within 2.268 angstrom around the atom at index 19 in the cif file. | data_image0
_chemical_formula_structural Ba4Y2Cr6O14
_chemical_formula_sum "Ba4 Y2 Cr6 O14"
_cell_length_a 5.62234459
_cell_length_b 12.448562939999999
_cell_length_c 5.6223467
_cell_angle_alpha 102.69537061
_cell_angle_beta 91.54529385000001
_cell_angle_gamma 102.69469371... | data_image0
_chemical_formula_structural Ba4Y2Cr4O13
_chemical_formula_sum "Ba4 Y2 Cr4 O13"
_cell_length_a 5.62234459
_cell_length_b 12.448562939999999
_cell_length_c 5.6223467
_cell_angle_alpha 102.69537061
_cell_angle_beta 91.54529385000001
_cell_angle_gamma 102.69469371... |
DeleteAroundAtomAction | cf3e5e55-037b-4489-a2c2-ba4558c43613 | mp-531064 | Delete all atoms within 3.435 angstrom around the atom at index 33 in the cif file. | data_image0
_chemical_formula_structural K8Mo24Br56
_chemical_formula_sum "K8 Mo24 Br56"
_cell_length_a 14.128482
_cell_length_b 14.352916
_cell_length_c 14.393337
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural K8Mo21Br55
_chemical_formula_sum "K8 Mo21 Br55"
_cell_length_a 14.128482
_cell_length_b 14.352916
_cell_length_c 14.393337
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
DeleteAroundAtomAction | b6a52805-9fa0-4314-b95a-9aea65d7d181 | mp-3380 | Delete all atoms within 2.049 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural La4Rh4C8
_chemical_formula_sum "La4 Rh4 C8"
_cell_length_a 3.991291
_cell_length_b 3.991291
_cell_length_c 15.419415
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural La4Rh4C6
_chemical_formula_sum "La4 Rh4 C6"
_cell_length_a 3.991291
_cell_length_b 3.991291
_cell_length_c 15.419415
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... |
DeleteAroundAtomAction | f8c26704-66c9-4b81-a468-2a93187b0be0 | mp-1172905 | Delete all atoms within 3.341 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Ag3Bi3S6
_chemical_formula_sum "Ag3 Bi3 S6"
_cell_length_a 4.04844097
_cell_length_b 4.04844097
_cell_length_c 19.110277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001577
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Ag2Bi2S5
_chemical_formula_sum "Ag2 Bi2 S5"
_cell_length_a 4.04844097
_cell_length_b 4.04844097
_cell_length_c 19.110277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001577
_space_group_name_H-M_alt "P 1"... |
DeleteAroundAtomAction | dbd2c7ee-000a-422a-a322-c69fecf745e6 | mp-1211239 | Delete all atoms within 3.873 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural Nd4S6O40
_chemical_formula_sum "Nd4 S6 O40"
_cell_length_a 6.92283015
_cell_length_b 6.92283015
_cell_length_c 20.06569612
_cell_angle_alpha 81.47478249
_cell_angle_beta 81.47478249
_cell_angle_gamma 60.71262649000001
_space_group_... | data_image0
_chemical_formula_structural Nd3S4O29
_chemical_formula_sum "Nd3 S4 O29"
_cell_length_a 6.92283015
_cell_length_b 6.92283015
_cell_length_c 20.06569612
_cell_angle_alpha 81.47478249
_cell_angle_beta 81.47478249
_cell_angle_gamma 60.71262649000001
_space_group_... |
DeleteAroundAtomAction | fe23ca3a-1b3b-4fcd-ba85-7ce1dc9f4ebf | mp-1218449 | Delete all atoms within 2.796 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural Sr2Ca6Ir2O12
_chemical_formula_sum "Sr2 Ca6 Ir2 O12"
_cell_length_a 6.682358
_cell_length_b 6.682358
_cell_length_c 6.72167424
_cell_angle_alpha 89.13156517
_cell_angle_beta 89.13156517
_cell_angle_gamma 91.72627208
_space_group_na... | data_image0
_chemical_formula_structural SrCa3IrO11
_chemical_formula_sum "Sr1 Ca3 Ir1 O11"
_cell_length_a 6.682358
_cell_length_b 6.682358
_cell_length_c 6.72167424
_cell_angle_alpha 89.13156517
_cell_angle_beta 89.13156517
_cell_angle_gamma 91.72627208
_space_group_name... |
DeleteAroundAtomAction | 32310e09-784f-4f07-8e80-7ce7d7f80a3d | mp-557626 | Delete all atoms within 3.385 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Gd8Ti4O20
_chemical_formula_sum "Gd8 Ti4 O20"
_cell_length_a 3.7458484
_cell_length_b 10.49807509
_cell_length_c 11.34388027
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Gd7Ti4O15
_chemical_formula_sum "Gd7 Ti4 O15"
_cell_length_a 3.7458484
_cell_length_b 10.49807509
_cell_length_c 11.34388027
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
DeleteAroundAtomAction | 99fbc099-c14f-439b-be6b-5506ea0b51dc | mp-1218759 | Delete all atoms within 3.341 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural Sr2NdTlCu2O7
_chemical_formula_sum "Sr2 Nd1 Tl1 Cu2 O7"
_cell_length_a 3.859695
_cell_length_b 3.873027
_cell_length_c 12.314699
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural NdCu2O6
_chemical_formula_sum "Nd1 Cu2 O6"
_cell_length_a 3.859695
_cell_length_b 3.873027
_cell_length_c 12.314699
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group... |
DeleteAroundAtomAction | 9543bbbd-2748-4fd9-aac4-276ffde1de88 | mp-1213447 | Delete all atoms within 3.387 angstrom around the atom at index 14 in the cif file. | data_image0
_chemical_formula_structural KBaNaCaTi4Fe8Si8O38F2
_chemical_formula_sum "K1 Ba1 Na1 Ca1 Ti4 Fe8 Si8 O38 F2"
_cell_length_a 5.40697631
_cell_length_b 7.10473773
_cell_length_c 20.84814459
_cell_angle_alpha 90.0
_cell_angle_beta 94.25512916
_cell_angle_gamma 90.... | data_image0
_chemical_formula_structural KBaNaCaTi4Fe5Si6O31F2
_chemical_formula_sum "K1 Ba1 Na1 Ca1 Ti4 Fe5 Si6 O31 F2"
_cell_length_a 5.40697631
_cell_length_b 7.10473773
_cell_length_c 20.84814459
_cell_angle_alpha 90.0
_cell_angle_beta 94.25512916
_cell_angle_gamma 90.... |
DeleteAroundAtomAction | 040f1b1a-9817-46ce-8a7a-0bd16ac6a588 | mp-1521703 | Delete all atoms within 3.102 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural BaZr2SnO6
_chemical_formula_sum "Ba1 Zr2 Sn1 O6"
_cell_length_a 4.2278895
_cell_length_b 4.22779909
_cell_length_c 8.45162975
_cell_angle_alpha 90.0
_cell_angle_beta 90.02101367
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Zr2SnO
_chemical_formula_sum "Zr2 Sn1 O1"
_cell_length_a 4.2278895
_cell_length_b 4.22779909
_cell_length_c 8.45162975
_cell_angle_alpha 90.0
_cell_angle_beta 90.02101367
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
DeleteAroundAtomAction | a451e8e2-44d9-40ac-99d2-1bbc4b93f30a | mp-1196464 | Delete all atoms within 3.83 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Cs4Fe4Ag4F24
_chemical_formula_sum "Cs4 Fe4 Ag4 F24"
_cell_length_a 7.586403
_cell_length_b 7.721376
_cell_length_c 10.868196
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Cs3Fe4Ag2F13
_chemical_formula_sum "Cs3 Fe4 Ag2 F13"
_cell_length_a 7.586403
_cell_length_b 7.721376
_cell_length_c 10.868196
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
DeleteAroundAtomAction | 6ced4b81-0f61-4051-b82b-1d3056d4a94d | mp-531661 | Delete all atoms within 3.476 angstrom around the atom at index 44 in the cif file. | data_image0
_chemical_formula_structural Nd10Ti12O39
_chemical_formula_sum "Nd10 Ti12 O39"
_cell_length_a 7.273009
_cell_length_b 10.2912685
_cell_length_c 12.53064596
_cell_angle_alpha 113.59612546
_cell_angle_beta 106.80972901999999
_cell_angle_gamma 88.92613835
_space_... | data_image0
_chemical_formula_structural Nd8Ti10O29
_chemical_formula_sum "Nd8 Ti10 O29"
_cell_length_a 7.273009
_cell_length_b 10.2912685
_cell_length_c 12.53064596
_cell_angle_alpha 113.59612546
_cell_angle_beta 106.80972901999999
_cell_angle_gamma 88.92613835
_space_gr... |
DeleteAroundAtomAction | 8b1e13f6-9ff4-45b0-a77f-37ec71bbaa1a | mp-1175891 | Delete all atoms within 2.489 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.116323
_cell_length_b 7.64613856
_cell_length_c 7.821690619999999
_cell_angle_alpha 97.97207279
_cell_angle_beta 101.73332476
_cell_angle_gamma 103.21506005
_spa... | data_image0
_chemical_formula_structural Li9Mn2Co4O10
_chemical_formula_sum "Li9 Mn2 Co4 O10"
_cell_length_a 5.116323
_cell_length_b 7.64613856
_cell_length_c 7.821690619999999
_cell_angle_alpha 97.97207279
_cell_angle_beta 101.73332476
_cell_angle_gamma 103.21506005
_spa... |
DeleteAroundAtomAction | e4eda1e5-45e0-441a-b4be-dc711f522828 | mp-728431 | Delete all atoms within 1.586 angstrom around the atom at index 24 in the cif file. | data_image0
_chemical_formula_structural Li4Cr4O18
_chemical_formula_sum "Li4 Cr4 O18"
_cell_length_a 8.53267349
_cell_length_b 8.53267349
_cell_length_c 6.6120849
_cell_angle_alpha 83.09252253
_cell_angle_beta 96.90747747
_cell_angle_gamma 120.35945653
_space_group_name_... | data_image0
_chemical_formula_structural Li4Cr4O16
_chemical_formula_sum "Li4 Cr4 O16"
_cell_length_a 8.53267349
_cell_length_b 8.53267349
_cell_length_c 6.6120849
_cell_angle_alpha 83.09252253
_cell_angle_beta 96.90747747
_cell_angle_gamma 120.35945653
_space_group_name_... |
DeleteAroundAtomAction | 3c76814b-e8c6-42ea-953b-9d8fcad91dde | mp-1019719 | Delete all atoms within 3.264 angstrom around the atom at index 33 in the cif file. | data_image0
_chemical_formula_structural Cs8Si16B8O48
_chemical_formula_sum "Cs8 Si16 B8 O48"
_cell_length_a 11.38970566
_cell_length_b 11.389705660000002
_cell_length_c 11.38970566
_cell_angle_alpha 109.25511421999998
_cell_angle_beta 109.25511421999998
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Cs7Si14B7O41
_chemical_formula_sum "Cs7 Si14 B7 O41"
_cell_length_a 11.38970566
_cell_length_b 11.389705660000002
_cell_length_c 11.38970566
_cell_angle_alpha 109.25511421999998
_cell_angle_beta 109.25511421999998
_cell_angle_gamma ... |
DeleteAroundAtomAction | a9db3601-5b16-490f-b349-6c2a46cb0430 | mp-1072988 | Delete all atoms within 2.836 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Mg8Si12
_chemical_formula_sum "Mg8 Si12"
_cell_length_a 6.07136022
_cell_length_b 6.07136022
_cell_length_c 15.70600415
_cell_angle_alpha 82.26827983
_cell_angle_beta 82.26827983
_cell_angle_gamma 40.134289769999995
_space_group_na... | data_image0
_chemical_formula_structural Mg7Si9
_chemical_formula_sum "Mg7 Si9"
_cell_length_a 6.07136022
_cell_length_b 6.07136022
_cell_length_c 15.70600415
_cell_angle_alpha 82.26827983
_cell_angle_beta 82.26827983
_cell_angle_gamma 40.134289769999995
_space_group_name... |
DeleteAroundAtomAction | b489164f-a26b-4281-85bd-526fb6c99a22 | mp-1095411 | Delete all atoms within 3.982 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural EuIn2Ge4Ir4
_chemical_formula_sum "Eu1 In2 Ge4 Ir4"
_cell_length_a 6.63908276
_cell_length_b 6.63908276
_cell_length_c 6.63908276
_cell_angle_alpha 116.23124229
_cell_angle_beta 116.23124229
_cell_angle_gamma 96.66187853999999
_spa... | data_image0
_chemical_formula_structural In
_chemical_formula_sum "In1"
_cell_length_a 6.63908276
_cell_length_b 6.63908276
_cell_length_c 6.63908276
_cell_angle_alpha 116.23124229
_cell_angle_beta 116.23124229
_cell_angle_gamma 96.66187853999999
_space_group_name_H-M_alt... |
DeleteAroundAtomAction | 8d685c9b-c325-4563-823e-7ce4d5d3fe3d | mp-28684 | Delete all atoms within 3.827 angstrom around the atom at index 28 in the cif file. | data_image0
_chemical_formula_structural Sb14Se16F70
_chemical_formula_sum "Sb14 Se16 F70"
_cell_length_a 13.914392
_cell_length_b 11.419592
_cell_length_c 15.91966876
_cell_angle_alpha 47.748210029999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sb14Se12F63
_chemical_formula_sum "Sb14 Se12 F63"
_cell_length_a 13.914392
_cell_length_b 11.419592
_cell_length_c 15.91966876
_cell_angle_alpha 47.748210029999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
DeleteAroundAtomAction | 5b15451a-9a43-4f03-a9f6-e7d7c23ce54e | mp-1208667 | Delete all atoms within 2.257 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural Sr2C4O10
_chemical_formula_sum "Sr2 C4 O10"
_cell_length_a 6.4825783
_cell_length_b 6.482578300000001
_cell_length_c 6.55297993
_cell_angle_alpha 75.39235516
_cell_angle_beta 75.39235516
_cell_angle_gamma 72.68142132
_space_group_n... | data_image0
_chemical_formula_structural Sr2C3O9
_chemical_formula_sum "Sr2 C3 O9"
_cell_length_a 6.4825783
_cell_length_b 6.482578300000001
_cell_length_c 6.55297993
_cell_angle_alpha 75.39235516
_cell_angle_beta 75.39235516
_cell_angle_gamma 72.68142132
_space_group_nam... |
DeleteAroundAtomAction | 930364b5-a15b-43e0-b82f-f6b08e6e74e3 | mp-1080794 | Delete all atoms within 3.696 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Tb2P2Ru4C2
_chemical_formula_sum "Tb2 P2 Ru4 C2"
_cell_length_a 5.83282683
_cell_length_b 5.83282683
_cell_length_c 7.078588
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 141.93686356000003
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural TbP
_chemical_formula_sum "Tb1 P1"
_cell_length_a 5.83282683
_cell_length_b 5.83282683
_cell_length_c 7.078588
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 141.93686356000003
_space_group_name_H-M_alt "P 1"
_sp... |
DeleteAroundAtomAction | 01a9ac5f-20be-40f7-9ef0-d2af53593377 | mp-2713621 | Delete all atoms within 3.449 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O48
_chemical_formula_sum "Na12 Zr4 Ti4 Si8 P4 O48"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma 90.... | data_image0
_chemical_formula_structural Na10Zr3Ti3Si5P3O38
_chemical_formula_sum "Na10 Zr3 Ti3 Si5 P3 O38"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma 90.... |
DeleteAroundAtomAction | 6f570e74-1cfc-4e95-a873-0d1539d2b259 | mp-1028643 | Delete all atoms within 3.459 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Te6Mo2W2S2
_chemical_formula_sum "Te6 Mo2 W2 S2"
_cell_length_a 3.45920571
_cell_length_b 3.45920571
_cell_length_c 37.26117417
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000709999999
_space_group_name_H-M... | data_image0
_chemical_formula_structural Te5MoW2S2
_chemical_formula_sum "Te5 Mo1 W2 S2"
_cell_length_a 3.45920571
_cell_length_b 3.45920571
_cell_length_c 37.26117417
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000709999999
_space_group_name_H-M_... |
DeleteAroundAtomAction | 2acad485-c63b-4813-99fb-2404d0856f10 | mp-1196543 | Delete all atoms within 3.422 angstrom around the atom at index 42 in the cif file. | data_image0
_chemical_formula_structural Ga40Mo8C
_chemical_formula_sum "Ga40 Mo8 C1"
_cell_length_a 9.5569173
_cell_length_b 9.5569173
_cell_length_c 9.55691725
_cell_angle_alpha 94.10402885
_cell_angle_beta 94.10402885
_cell_angle_gamma 94.10402928
_space_group_name_H-M... | data_image0
_chemical_formula_structural Ga30Mo7C
_chemical_formula_sum "Ga30 Mo7 C1"
_cell_length_a 9.5569173
_cell_length_b 9.5569173
_cell_length_c 9.55691725
_cell_angle_alpha 94.10402885
_cell_angle_beta 94.10402885
_cell_angle_gamma 94.10402928
_space_group_name_H-M... |
DeleteAroundAtomAction | 86885a16-c3c3-45be-96a5-e1a09cc8d5a4 | mp-29393 | Delete all atoms within 3.519 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural U2Nb4O14
_chemical_formula_sum "U2 Nb4 O14"
_cell_length_a 10.81807734
_cell_length_b 10.81807734
_cell_length_c 6.543083
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 159.67399374
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural UNb3O8
_chemical_formula_sum "U1 Nb3 O8"
_cell_length_a 10.81807734
_cell_length_b 10.81807734
_cell_length_c 6.543083
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 159.67399374
_space_group_name_H-M_alt "P 1"
_... |
DeleteAroundAtomAction | 7385259a-6520-44d2-a088-908ebd35ed14 | mp-758894 | Delete all atoms within 3.656 angstrom around the atom at index 16 in the cif file. | data_image0
_chemical_formula_structural Li4Ti2Te6O24
_chemical_formula_sum "Li4 Ti2 Te6 O24"
_cell_length_a 8.520907
_cell_length_b 7.079706
_cell_length_c 7.29606655
_cell_angle_alpha 87.35303227000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Li2TiTe4O11
_chemical_formula_sum "Li2 Ti1 Te4 O11"
_cell_length_a 8.520907
_cell_length_b 7.079706
_cell_length_c 7.29606655
_cell_angle_alpha 87.35303227000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
DeleteAroundAtomAction | 14d01040-2c2a-4b82-a508-418211163d7d | mp-1212483 | Delete all atoms within 1.292 angstrom around the atom at index 26 in the cif file. | data_image0
_chemical_formula_structural Hg16P4H4N4O28
_chemical_formula_sum "Hg16 P4 H4 N4 O28"
_cell_length_a 6.12443421
_cell_length_b 8.318202
_cell_length_c 19.35441814
_cell_angle_alpha 90.0
_cell_angle_beta 91.12338898
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Hg16P4H4N3O25
_chemical_formula_sum "Hg16 P4 H4 N3 O25"
_cell_length_a 6.12443421
_cell_length_b 8.318202
_cell_length_c 19.35441814
_cell_angle_alpha 90.0
_cell_angle_beta 91.12338898
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
DeleteAroundAtomAction | 8b88da10-045f-43cb-aa19-7b24ecd3c476 | mp-1516307 | Delete all atoms within 3.614 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural KLaDyFeO6
_chemical_formula_sum "K1 La1 Dy1 Fe1 O6"
_cell_length_a 5.73485535
_cell_length_b 5.73485535
_cell_length_c 5.734855349999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9... | data_image0
_chemical_formula_structural O
_chemical_formula_sum "O1"
_cell_length_a 5.73485535
_cell_length_b 5.73485535
_cell_length_c 5.734855349999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99999999999999
_space_g... |
DeleteAroundAtomAction | db933635-d1af-428a-a7db-cd7dec1254fd | mp-1201281 | Delete all atoms within 2.057 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Cs4Np4Mo4O28
_chemical_formula_sum "Cs4 Np4 Mo4 O28"
_cell_length_a 8.198976
_cell_length_b 9.448569
_cell_length_c 10.543912
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Cs4Np4Mo3O24
_chemical_formula_sum "Cs4 Np4 Mo3 O24"
_cell_length_a 8.198976
_cell_length_b 9.448569
_cell_length_c 10.543912
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
DeleteAroundAtomAction | e73d7ad3-b3e6-4766-85a3-e39c68d07077 | mp-1075627 | Delete all atoms within 3.508 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Mg10Si18
_chemical_formula_sum "Mg10 Si18"
_cell_length_a 6.95179
_cell_length_b 7.0860226
_cell_length_c 12.60241938
_cell_angle_alpha 76.53564366000002
_cell_angle_beta 82.94999404
_cell_angle_gamma 62.96007212000001
_space_group... | data_image0
_chemical_formula_structural Mg4Si13
_chemical_formula_sum "Mg4 Si13"
_cell_length_a 6.95179
_cell_length_b 7.0860226
_cell_length_c 12.60241938
_cell_angle_alpha 76.53564366000002
_cell_angle_beta 82.94999404
_cell_angle_gamma 62.96007212000001
_space_group_n... |
DeleteAroundAtomAction | 866f574b-ee52-41a5-8e56-d0d37ff4cf8c | mp-1105354 | Delete all atoms within 3.904 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Ca4Fe2Cu2S2O6
_chemical_formula_sum "Ca4 Fe2 Cu2 S2 O6"
_cell_length_a 3.87717203
_cell_length_b 3.87472426
_cell_length_c 14.90745591
_cell_angle_alpha 90.03974904
_cell_angle_beta 90.00472766
_cell_angle_gamma 89.98749329
_space_... | data_image0
_chemical_formula_structural Ca2FeCu2SO3
_chemical_formula_sum "Ca2 Fe1 Cu2 S1 O3"
_cell_length_a 3.87717203
_cell_length_b 3.87472426
_cell_length_c 14.90745591
_cell_angle_alpha 90.03974904
_cell_angle_beta 90.00472766
_cell_angle_gamma 89.98749329
_space_gr... |
DeleteAroundAtomAction | 777e6db9-874f-4448-ba33-9a0575378a4d | mp-1228475 | Delete all atoms within 3.604 angstrom around the atom at index 37 in the cif file. | data_image0
_chemical_formula_structural Ba10Mn2Co8O28
_chemical_formula_sum "Ba10 Mn2 Co8 O28"
_cell_length_a 5.789929
_cell_length_b 10.016607
_cell_length_c 12.0896831
_cell_angle_alpha 89.94737559
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba6MnCo7O20
_chemical_formula_sum "Ba6 Mn1 Co7 O20"
_cell_length_a 5.789929
_cell_length_b 10.016607
_cell_length_c 12.0896831
_cell_angle_alpha 89.94737559
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | dc1e324a-6475-44e7-aba0-0526ad98c807 | mp-1401213 | Delete all atoms within 2.038 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Mg2Ti4O8
_chemical_formula_sum "Mg2 Ti4 O8"
_cell_length_a 7.6351781
_cell_length_b 7.6351781
_cell_length_c 9.63444063
_cell_angle_alpha 51.23972896
_cell_angle_beta 51.23972896
_cell_angle_gamma 21.98626025999998
_space_group_nam... | data_image0
_chemical_formula_structural Mg2Ti2O7
_chemical_formula_sum "Mg2 Ti2 O7"
_cell_length_a 7.6351781
_cell_length_b 7.6351781
_cell_length_c 9.63444063
_cell_angle_alpha 51.23972896
_cell_angle_beta 51.23972896
_cell_angle_gamma 21.98626025999998
_space_group_nam... |
DeleteAroundAtomAction | 36bcf643-1093-424d-8662-fea706d3edf6 | mp-1176457 | Delete all atoms within 3.072 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural Mn6O2F10
_chemical_formula_sum "Mn6 O2 F10"
_cell_length_a 5.858324
_cell_length_b 5.89193293
_cell_length_c 7.57491206
_cell_angle_alpha 73.75590791
_cell_angle_beta 73.47966378
_cell_angle_gamma 71.89549521
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Mn3OF3
_chemical_formula_sum "Mn3 O1 F3"
_cell_length_a 5.858324
_cell_length_b 5.89193293
_cell_length_c 7.57491206
_cell_angle_alpha 73.75590791
_cell_angle_beta 73.47966378
_cell_angle_gamma 71.89549521
_space_group_name_H-M_alt... |
DeleteAroundAtomAction | 0fe38781-9890-4aac-9f3a-c4f145cc2559 | mp-30012 | Delete all atoms within 2.929 angstrom around the atom at index 14 in the cif file. | data_image0
_chemical_formula_structural Bi4Kr4F28
_chemical_formula_sum "Bi4 Kr4 F28"
_cell_length_a 10.59321774
_cell_length_b 5.29125236
_cell_length_c 11.01870519
_cell_angle_alpha 84.47635688
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Bi3Kr4F22
_chemical_formula_sum "Bi3 Kr4 F22"
_cell_length_a 10.59321774
_cell_length_b 5.29125236
_cell_length_c 11.01870519
_cell_angle_alpha 84.47635688
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
DeleteAroundAtomAction | 9d68f95d-cae9-4340-9fdd-053d3eeafcfd | mp-758646 | Delete all atoms within 3.619 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Li4V4F20
_chemical_formula_sum "Li4 V4 F20"
_cell_length_a 5.9939823
_cell_length_b 5.993982300000001
_cell_length_c 10.877277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 98.87053668
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li2V2F11
_chemical_formula_sum "Li2 V2 F11"
_cell_length_a 5.9939823
_cell_length_b 5.993982300000001
_cell_length_c 10.877277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 98.87053668
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 7f2e66a6-4ffd-4b0b-b1fb-b90826d0c31c | mp-1239191 | Delete all atoms within 3.211 angstrom around the atom at index 23 in the cif file. | data_image0
_chemical_formula_structural Cs4Cr8S16
_chemical_formula_sum "Cs4 Cr8 S16"
_cell_length_a 3.594919
_cell_length_b 12.069073
_cell_length_c 13.287917
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural Cs4Cr6S13
_chemical_formula_sum "Cs4 Cr6 S13"
_cell_length_a 3.594919
_cell_length_b 12.069073
_cell_length_c 13.287917
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... |
DeleteAroundAtomAction | d31c9f5b-7bda-4383-8868-ad1115cb603f | mp-850401 | Delete all atoms within 2.465 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Li8Fe4O4F12
_chemical_formula_sum "Li8 Fe4 O4 F12"
_cell_length_a 5.964115
_cell_length_b 5.964249000000001
_cell_length_c 8.58639
_cell_angle_alpha 90.00007179
_cell_angle_beta 89.99975499999998
_cell_angle_gamma 89.99676256
_spac... | data_image0
_chemical_formula_structural Li7Fe4O3F9
_chemical_formula_sum "Li7 Fe4 O3 F9"
_cell_length_a 5.964115
_cell_length_b 5.964249000000001
_cell_length_c 8.58639
_cell_angle_alpha 90.00007179
_cell_angle_beta 89.99975499999998
_cell_angle_gamma 89.99676256
_space_... |
DeleteAroundAtomAction | df0d60bf-8df3-4a8b-b753-83b7b0b083a6 | mp-1029771 | Delete all atoms within 3.053 angstrom around the atom at index 19 in the cif file. | data_image0
_chemical_formula_structural Ca8Re4N12
_chemical_formula_sum "Ca8 Re4 N12"
_cell_length_a 6.06534937
_cell_length_b 10.75755626
_cell_length_c 12.34777212
_cell_angle_alpha 89.98624235
_cell_angle_beta 89.98780477000001
_cell_angle_gamma 27.525234260000015
_sp... | data_image0
_chemical_formula_structural Ca4Re3N11
_chemical_formula_sum "Ca4 Re3 N11"
_cell_length_a 6.06534937
_cell_length_b 10.75755626
_cell_length_c 12.34777212
_cell_angle_alpha 89.98624235
_cell_angle_beta 89.98780477000001
_cell_angle_gamma 27.525234260000015
_sp... |
DeleteAroundAtomAction | 4340b1c8-8cf9-4a55-a11e-b003ba96a7b2 | mp-763174 | Delete all atoms within 3.401 angstrom around the atom at index 21 in the cif file. | data_image0
_chemical_formula_structural Li8V4O8F4
_chemical_formula_sum "Li8 V4 O8 F4"
_cell_length_a 6.0236089
_cell_length_b 6.023608899999999
_cell_length_c 8.98532133
_cell_angle_alpha 59.9489622
_cell_angle_beta 59.9489622
_cell_angle_gamma 59.827165259999994
_space... | data_image0
_chemical_formula_structural Li2V4O2
_chemical_formula_sum "Li2 V4 O2"
_cell_length_a 6.0236089
_cell_length_b 6.023608899999999
_cell_length_c 8.98532133
_cell_angle_alpha 59.9489622
_cell_angle_beta 59.9489622
_cell_angle_gamma 59.827165259999994
_space_grou... |
DeleteAroundAtomAction | 63d7d0c4-63a8-46c9-a3e4-54c6aac5b759 | mp-1175453 | Delete all atoms within 3.867 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.083666
_cell_length_b 5.89114957
_cell_length_c 10.09419816
_cell_angle_alpha 88.84453634999998
_cell_angle_beta 99.76659610999998
_cell_angle_gamma 107.65282792
... | data_image0
_chemical_formula_structural Li3MnCo2O6
_chemical_formula_sum "Li3 Mn1 Co2 O6"
_cell_length_a 5.083666
_cell_length_b 5.89114957
_cell_length_c 10.09419816
_cell_angle_alpha 88.84453634999998
_cell_angle_beta 99.76659610999998
_cell_angle_gamma 107.65282792
_s... |
DeleteAroundAtomAction | 07822c7f-16b6-44c7-b53f-f9167ee6a982 | mp-1194096 | Delete all atoms within 2.903 angstrom around the atom at index 50 in the cif file. | data_image0
_chemical_formula_structural Sr8Ni4Se12O36
_chemical_formula_sum "Sr8 Ni4 Se12 O36"
_cell_length_a 7.4440848
_cell_length_b 10.350755760000002
_cell_length_c 12.988963870000001
_cell_angle_alpha 82.00291873
_cell_angle_beta 97.24416022
_cell_angle_gamma 107.365... | data_image0
_chemical_formula_structural Sr7Ni3Se11O33
_chemical_formula_sum "Sr7 Ni3 Se11 O33"
_cell_length_a 7.4440848
_cell_length_b 10.350755760000002
_cell_length_c 12.988963870000001
_cell_angle_alpha 82.00291873
_cell_angle_beta 97.24416022
_cell_angle_gamma 107.365... |
DeleteAroundAtomAction | 010fdfde-e8ba-407c-8b79-825da45a5b49 | mp-23013 | Delete all atoms within 3.642 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural U4Cl8O8
_chemical_formula_sum "U4 Cl8 O8"
_cell_length_a 5.76341914
_cell_length_b 8.44405204
_cell_length_c 8.73800116
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural U2Cl4O2
_chemical_formula_sum "U2 Cl4 O2"
_cell_length_a 5.76341914
_cell_length_b 8.44405204
_cell_length_c 8.73800116
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... |
DeleteAroundAtomAction | edff80d1-3f26-42d1-a79e-e62b6cb6f5c4 | mp-1198616 | Delete all atoms within 1.874 angstrom around the atom at index 36 in the cif file. | data_image0
_chemical_formula_structural Na4In4B4P8H4O36
_chemical_formula_sum "Na4 In4 B4 P8 H4 O36"
_cell_length_a 5.17658486
_cell_length_b 16.79093092
_cell_length_c 8.95999236
_cell_angle_alpha 90.0
_cell_angle_beta 121.13523207000001
_cell_angle_gamma 90.0
_space_gr... | data_image0
_chemical_formula_structural Na4In4B3P7H4O35
_chemical_formula_sum "Na4 In4 B3 P7 H4 O35"
_cell_length_a 5.17658486
_cell_length_b 16.79093092
_cell_length_c 8.95999236
_cell_angle_alpha 90.0
_cell_angle_beta 121.13523207000001
_cell_angle_gamma 90.0
_space_gr... |
DeleteAroundAtomAction | c6922f2d-9eb8-4cf8-8a4c-7eb36c43ede0 | mp-980108 | Delete all atoms within 3.593 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Sm4Mg2Ir2O12
_chemical_formula_sum "Sm4 Mg2 Ir2 O12"
_cell_length_a 5.760194
_cell_length_b 5.428014
_cell_length_c 9.48535488
_cell_angle_alpha 55.3260366
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Sm3O4
_chemical_formula_sum "Sm3 O4"
_cell_length_a 5.760194
_cell_length_b 5.428014
_cell_length_c 9.48535488
_cell_angle_alpha 55.3260366
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... |
DeleteAroundAtomAction | 93c34993-cae1-421a-a11e-7d2e802430d2 | mp-1217947 | Delete all atoms within 3.67 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Ta4Nb4Ag8O24
_chemical_formula_sum "Ta4 Nb4 Ag8 O24"
_cell_length_a 5.614271
_cell_length_b 5.686728
_cell_length_c 15.851884
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Ta2Nb2Ag7O14
_chemical_formula_sum "Ta2 Nb2 Ag7 O14"
_cell_length_a 5.614271
_cell_length_b 5.686728
_cell_length_c 15.851884
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
DeleteAroundAtomAction | 370b4509-8a82-4cd3-8f23-460150b8c58e | mp-697807 | Delete all atoms within 2.297 angstrom around the atom at index 29 in the cif file. | data_image0
_chemical_formula_structural Li2Mn8P14O48
_chemical_formula_sum "Li2 Mn8 P14 O48"
_cell_length_a 10.312902
_cell_length_b 10.477423819999998
_cell_length_c 10.77161187
_cell_angle_alpha 109.86704881
_cell_angle_beta 111.33068254999999
_cell_angle_gamma 105.6353... | data_image0
_chemical_formula_structural Li2Mn7P13O47
_chemical_formula_sum "Li2 Mn7 P13 O47"
_cell_length_a 10.312902
_cell_length_b 10.477423819999998
_cell_length_c 10.77161187
_cell_angle_alpha 109.86704881
_cell_angle_beta 111.33068254999999
_cell_angle_gamma 105.6353... |
DeleteAroundAtomAction | c995550c-8458-4d15-8939-795ad002e427 | mp-755699 | Delete all atoms within 3.165 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural Li4CrCu3O8
_chemical_formula_sum "Li4 Cr1 Cu3 O8"
_cell_length_a 10.14217904
_cell_length_b 10.14144136
_cell_length_c 14.33816371
_cell_angle_alpha 19.50460015000001
_cell_angle_beta 19.503536469999972
_cell_angle_gamma 33.61800237... | data_image0
_chemical_formula_structural LiCrO
_chemical_formula_sum "Li1 Cr1 O1"
_cell_length_a 10.14217904
_cell_length_b 10.14144136
_cell_length_c 14.33816371
_cell_angle_alpha 19.50460015000001
_cell_angle_beta 19.503536469999972
_cell_angle_gamma 33.61800237999999
_... |
DeleteAroundAtomAction | 07b23b73-1824-4797-841c-3bc53c3cb0c9 | mp-625941 | Delete all atoms within 1.256 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural TeH6O6
_chemical_formula_sum "Te1 H6 O6"
_cell_length_a 5.91528034
_cell_length_b 5.790779660000001
_cell_length_c 5.37207892
_cell_angle_alpha 63.869127299999995
_cell_angle_beta 61.509273349999994
_cell_angle_gamma 54.621599350000... | data_image0
_chemical_formula_structural TeH5O5
_chemical_formula_sum "Te1 H5 O5"
_cell_length_a 5.91528034
_cell_length_b 5.790779660000001
_cell_length_c 5.37207892
_cell_angle_alpha 63.869127299999995
_cell_angle_beta 61.509273349999994
_cell_angle_gamma 54.621599350000... |
DeleteAroundAtomAction | 48b31557-5b9d-4c7b-9f56-98b85f835141 | mp-1179245 | Delete all atoms within 1.8 angstrom around the atom at index 25 in the cif file. | data_image0
_chemical_formula_structural V6H12O20
_chemical_formula_sum "V6 H12 O20"
_cell_length_a 6.109909
_cell_length_b 8.90692701
_cell_length_c 9.072093930000001
_cell_angle_alpha 88.65203732
_cell_angle_beta 86.15278078
_cell_angle_gamma 81.7956423
_space_group_nam... | data_image0
_chemical_formula_structural V5H12O19
_chemical_formula_sum "V5 H12 O19"
_cell_length_a 6.109909
_cell_length_b 8.90692701
_cell_length_c 9.072093930000001
_cell_angle_alpha 88.65203732
_cell_angle_beta 86.15278078
_cell_angle_gamma 81.7956423
_space_group_nam... |
DeleteAroundAtomAction | e3b19a35-328d-44d8-9b39-f605f567d18c | mp-1114234 | Delete all atoms within 3.17 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Na2LiRhF6
_chemical_formula_sum "Na2 Li1 Rh1 F6"
_cell_length_a 5.63395672
_cell_length_b 5.63395672
_cell_length_c 5.63395672
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural F
_chemical_formula_sum "F1"
_cell_length_a 5.63395672
_cell_length_b 5.63395672
_cell_length_c 5.63395672
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_group_name... |
DeleteAroundAtomAction | 177551f1-d32b-4e9e-859b-8db457eb3b80 | mp-766386 | Delete all atoms within 2.008 angstrom around the atom at index 26 in the cif file. | data_image0
_chemical_formula_structural Mn6Fe2P8O32
_chemical_formula_sum "Mn6 Fe2 P8 O32"
_cell_length_a 11.53339526
_cell_length_b 11.533395260000002
_cell_length_c 4.92890101
_cell_angle_alpha 89.99746044999999
_cell_angle_beta 89.99746044999999
_cell_angle_gamma 62.83... | data_image0
_chemical_formula_structural Mn6Fe2P7O31
_chemical_formula_sum "Mn6 Fe2 P7 O31"
_cell_length_a 11.53339526
_cell_length_b 11.533395260000002
_cell_length_c 4.92890101
_cell_angle_alpha 89.99746044999999
_cell_angle_beta 89.99746044999999
_cell_angle_gamma 62.83... |
DeleteAroundAtomAction | 8e235025-1459-4897-a549-cb3667631dcd | mp-757196 | Delete all atoms within 2.678 angstrom around the atom at index 19 in the cif file. | data_image0
_chemical_formula_structural Hg4W4O14
_chemical_formula_sum "Hg4 W4 O14"
_cell_length_a 5.314241
_cell_length_b 8.55690931
_cell_length_c 9.0940042
_cell_angle_alpha 105.56429948000002
_cell_angle_beta 105.92332113
_cell_angle_gamma 97.42922239
_space_group_na... | data_image0
_chemical_formula_structural Hg4W2O12
_chemical_formula_sum "Hg4 W2 O12"
_cell_length_a 5.314241
_cell_length_b 8.55690931
_cell_length_c 9.0940042
_cell_angle_alpha 105.56429948000002
_cell_angle_beta 105.92332113
_cell_angle_gamma 97.42922239
_space_group_na... |
DeleteAroundAtomAction | 9650995a-315f-4659-b6b4-47d277d4d7bd | mp-768505 | Delete all atoms within 3.277 angstrom around the atom at index 18 in the cif file. | data_image0
_chemical_formula_structural Lu6Ga6O18
_chemical_formula_sum "Lu6 Ga6 O18"
_cell_length_a 5.90261744
_cell_length_b 5.90261585
_cell_length_c 11.574137249999998
_cell_angle_alpha 89.99999338
_cell_angle_beta 89.99995016
_cell_angle_gamma 119.99938731
_space_gr... | data_image0
_chemical_formula_structural Lu5Ga3O11
_chemical_formula_sum "Lu5 Ga3 O11"
_cell_length_a 5.90261744
_cell_length_b 5.90261585
_cell_length_c 11.574137249999998
_cell_angle_alpha 89.99999338
_cell_angle_beta 89.99995016
_cell_angle_gamma 119.99938731
_space_gr... |
DeleteAroundAtomAction | b64b4dde-1d86-496b-8b2f-420e32d7647d | mp-1208355 | Delete all atoms within 3.608 angstrom around the atom at index 14 in the cif file. | data_image0
_chemical_formula_structural Tb4As4O8
_chemical_formula_sum "Tb4 As4 O8"
_cell_length_a 7.00963605
_cell_length_b 7.00963605
_cell_length_c 7.009636050000001
_cell_angle_alpha 109.77864946
_cell_angle_beta 109.77864946
_cell_angle_gamma 108.85809727
_space_gro... | data_image0
_chemical_formula_structural TbAsO4
_chemical_formula_sum "Tb1 As1 O4"
_cell_length_a 7.00963605
_cell_length_b 7.00963605
_cell_length_c 7.009636050000001
_cell_angle_alpha 109.77864946
_cell_angle_beta 109.77864946
_cell_angle_gamma 108.85809727
_space_group... |
DeleteAroundAtomAction | 7de749a7-bca7-4519-ac91-18a270378c9f | mp-978989 | Delete all atoms within 3.493 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Tc14B6
_chemical_formula_sum "Tc14 B6"
_cell_length_a 7.46654839
_cell_length_b 7.4665463800000005
_cell_length_c 4.82992795
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99981629
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Tc4B2
_chemical_formula_sum "Tc4 B2"
_cell_length_a 7.46654839
_cell_length_b 7.4665463800000005
_cell_length_c 4.82992795
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99981629
_space_group_name_H-M_alt "P ... |
DeleteAroundAtomAction | c174591d-d364-496a-8d09-d3bb1edf333d | mp-1079634 | Delete all atoms within 3.841 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Tb4Sn2Au4
_chemical_formula_sum "Tb4 Sn2 Au4"
_cell_length_a 7.91659809
_cell_length_b 7.916598089999999
_cell_length_c 3.75257681
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.9980375
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sn
_chemical_formula_sum "Sn1"
_cell_length_a 7.91659809
_cell_length_b 7.916598089999999
_cell_length_c 3.75257681
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.9980375
_space_group_name_H-M_alt "P 1"
_space... |
DeleteAroundAtomAction | 3dec0f33-ff20-4d69-86da-c818187964d2 | mp-1223532 | Delete all atoms within 3.264 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural K2La2C2O8
_chemical_formula_sum "K2 La2 C2 O8"
_cell_length_a 3.686097
_cell_length_b 4.760619
_cell_length_c 12.196384
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural K2LaC2O4
_chemical_formula_sum "K2 La1 C2 O4"
_cell_length_a 3.686097
_cell_length_b 4.760619
_cell_length_c 12.196384
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... |
DeleteAroundAtomAction | 939d3b7e-d620-4e83-9214-d7cc44f8c4ba | mp-1043615 | Delete all atoms within 3.198 angstrom around the atom at index 36 in the cif file. | data_image0
_chemical_formula_structural Mn6Zn2P8O28
_chemical_formula_sum "Mn6 Zn2 P8 O28"
_cell_length_a 7.541915
_cell_length_b 7.529579
_cell_length_c 9.902182270000003
_cell_angle_alpha 66.5660246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mn4Zn2P7O18
_chemical_formula_sum "Mn4 Zn2 P7 O18"
_cell_length_a 7.541915
_cell_length_b 7.529579
_cell_length_c 9.902182270000003
_cell_angle_alpha 66.5660246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
DeleteAroundAtomAction | af38ca2c-5bb0-49bf-b8e2-53c2a406a9f6 | mp-1206319 | Delete all atoms within 2.988 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Rb2Co2Br6
_chemical_formula_sum "Rb2 Co2 Br6"
_cell_length_a 7.42861131
_cell_length_b 7.42750215
_cell_length_c 6.244587669999999
_cell_angle_alpha 89.99999801
_cell_angle_beta 90.00002781999999
_cell_angle_gamma 119.99551734999999... | data_image0
_chemical_formula_structural Rb2Br5
_chemical_formula_sum "Rb2 Br5"
_cell_length_a 7.42861131
_cell_length_b 7.42750215
_cell_length_c 6.244587669999999
_cell_angle_alpha 89.99999801
_cell_angle_beta 90.00002781999999
_cell_angle_gamma 119.99551734999999
_spac... |
DeleteAroundAtomAction | 39b5570e-dfd3-49c0-86dc-e2d48bc9978f | mp-850540 | Delete all atoms within 2.906 angstrom around the atom at index 59 in the cif file. | data_image0
_chemical_formula_structural Zn4Fe8P12O48
_chemical_formula_sum "Zn4 Fe8 P12 O48"
_cell_length_a 5.956416
_cell_length_b 4.893716
_cell_length_c 29.86220092
_cell_angle_alpha 89.98575769
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Zn3Fe7P11O41
_chemical_formula_sum "Zn3 Fe7 P11 O41"
_cell_length_a 5.956416
_cell_length_b 4.893716
_cell_length_c 29.86220092
_cell_angle_alpha 89.98575769
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 8ea79a34-609c-409c-b0a3-bb610480fe53 | mp-549058 | Delete all atoms within 3.102 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Ba4Fe4Se4O2F4
_chemical_formula_sum "Ba4 Fe4 Se4 O2 F4"
_cell_length_a 4.26583749
_cell_length_b 4.2657151
_cell_length_c 19.946585160000005
_cell_angle_alpha 89.99747917
_cell_angle_beta 89.99713968999998
_cell_angle_gamma 90.00067... | data_image0
_chemical_formula_structural Ba4Fe2Se2OF4
_chemical_formula_sum "Ba4 Fe2 Se2 O1 F4"
_cell_length_a 4.26583749
_cell_length_b 4.2657151
_cell_length_c 19.946585160000005
_cell_angle_alpha 89.99747917
_cell_angle_beta 89.99713968999998
_cell_angle_gamma 90.000676... |
DeleteAroundAtomAction | 64882fc5-69be-4add-b505-0c44221727cc | mp-1192688 | Delete all atoms within 2.423 angstrom around the atom at index 16 in the cif file. | data_image0
_chemical_formula_structural Zn4N24
_chemical_formula_sum "Zn4 N24"
_cell_length_a 3.46225614
_cell_length_b 16.34917739
_cell_length_c 7.37629299
_cell_angle_alpha 90.0
_cell_angle_beta 111.7166702
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Zn2N21
_chemical_formula_sum "Zn2 N21"
_cell_length_a 3.46225614
_cell_length_b 16.34917739
_cell_length_c 7.37629299
_cell_angle_alpha 90.0
_cell_angle_beta 111.7166702
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
DeleteAroundAtomAction | 06819647-65d9-4e01-8ef5-df1100cf22d8 | mp-1228441 | Delete all atoms within 3.954 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Ba7Hg31
_chemical_formula_sum "Ba7 Hg31"
_cell_length_a 10.96998198
_cell_length_b 10.970007279999999
_cell_length_c 10.4440168
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00007175
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba6Hg16
_chemical_formula_sum "Ba6 Hg16"
_cell_length_a 10.96998198
_cell_length_b 10.970007279999999
_cell_length_c 10.4440168
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00007175
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | d04c9499-09e8-4eee-9681-33f61ad19009 | mp-6606 | Delete all atoms within 3.66 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Sr2Y2Si8N14
_chemical_formula_sum "Sr2 Y2 Si8 N14"
_cell_length_a 6.06146913
_cell_length_b 6.061469130000001
_cell_length_c 9.888144
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999050999999
_space_group_na... | data_image0
_chemical_formula_structural Si3N7
_chemical_formula_sum "Si3 N7"
_cell_length_a 6.06146913
_cell_length_b 6.061469130000001
_cell_length_c 9.888144
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999050999999
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | cfa56eef-6341-4014-86fd-01dd946e9eb1 | mp-1229042 | Delete all atoms within 2.133 angstrom around the atom at index 25 in the cif file. | data_image0
_chemical_formula_structural Al9Fe2Si4O24
_chemical_formula_sum "Al9 Fe2 Si4 O24"
_cell_length_a 9.27066262
_cell_length_b 9.27066262
_cell_length_c 5.71036493
_cell_angle_alpha 89.69804354
_cell_angle_beta 89.69804354
_cell_angle_gamma 129.63019072
_space_gro... | data_image0
_chemical_formula_structural Al7FeSi4O23
_chemical_formula_sum "Al7 Fe1 Si4 O23"
_cell_length_a 9.27066262
_cell_length_b 9.27066262
_cell_length_c 5.71036493
_cell_angle_alpha 89.69804354
_cell_angle_beta 89.69804354
_cell_angle_gamma 129.63019072
_space_grou... |
DeleteAroundAtomAction | bf476584-8ebb-4480-b127-5753dc4ecd6d | mp-1220380 | Delete all atoms within 3.432 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Nd3NiSn7
_chemical_formula_sum "Nd3 Ni1 Sn7"
_cell_length_a 13.90377236
_cell_length_b 13.90377236
_cell_length_c 4.5517161
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 161.25257191
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Nd2NiSn4
_chemical_formula_sum "Nd2 Ni1 Sn4"
_cell_length_a 13.90377236
_cell_length_b 13.90377236
_cell_length_c 4.5517161
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 161.25257191
_space_group_name_H-M_alt "P... |
DeleteAroundAtomAction | 9f8ec35f-ce7f-444a-8f00-f5f2232b7043 | mp-2713601 | Delete all atoms within 2.749 angstrom around the atom at index 20 in the cif file. | data_image0
_chemical_formula_structural Na12Zr4Si8Sn4P4O48
_chemical_formula_sum "Na12 Zr4 Si8 Sn4 P4 O48"
_cell_length_a 15.80930235
_cell_length_b 9.12113413
_cell_length_c 9.16076048
_cell_angle_alpha 89.95736308
_cell_angle_beta 124.88498987999999
_cell_angle_gamma 90... | data_image0
_chemical_formula_structural Na12Zr4Si7Sn4P4O44
_chemical_formula_sum "Na12 Zr4 Si7 Sn4 P4 O44"
_cell_length_a 15.80930235
_cell_length_b 9.12113413
_cell_length_c 9.16076048
_cell_angle_alpha 89.95736308
_cell_angle_beta 124.88498987999999
_cell_angle_gamma 90... |
DeleteAroundAtomAction | 368321df-7180-4ed7-b834-cdb81f390dac | mp-1218286 | Delete all atoms within 2.744 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural SrLa3Mn2Cr2O12
_chemical_formula_sum "Sr1 La3 Mn2 Cr2 O12"
_cell_length_a 5.46755873
_cell_length_b 7.985748690000001
_cell_length_c 5.541264629999999
_cell_angle_alpha 90.00051804
_cell_angle_beta 89.99987303999998
_cell_angle_gamma ... | data_image0
_chemical_formula_structural SrLa2Mn2Cr2O5
_chemical_formula_sum "Sr1 La2 Mn2 Cr2 O5"
_cell_length_a 5.46755873
_cell_length_b 7.985748690000001
_cell_length_c 5.541264629999999
_cell_angle_alpha 90.00051804
_cell_angle_beta 89.99987303999998
_cell_angle_gamma ... |
DeleteAroundAtomAction | 4c080bc8-f1b1-4b55-a653-bf53c7b7554f | mp-642735 | Delete all atoms within 3.315 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Rb4H8Pt2
_chemical_formula_sum "Rb4 H8 Pt2"
_cell_length_a 5.8618533
_cell_length_b 5.8618533
_cell_length_c 8.40442138
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural Rb3H2Pt2
_chemical_formula_sum "Rb3 H2 Pt2"
_cell_length_a 5.8618533
_cell_length_b 5.8618533
_cell_length_c 8.40442138
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... |
DeleteAroundAtomAction | e1bb4562-ab19-40e4-b3a7-226cfc0e5633 | mp-1204112 | Delete all atoms within 3.924 angstrom around the atom at index 45 in the cif file. | data_image0
_chemical_formula_structural Sn2H8S12N12Cl12
_chemical_formula_sum "Sn2 H8 S12 N12 Cl12"
_cell_length_a 13.290174
_cell_length_b 7.36416
_cell_length_c 11.930420559999998
_cell_angle_alpha 57.87495880999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... | data_image0
_chemical_formula_structural SnH6S10N8Cl7
_chemical_formula_sum "Sn1 H6 S10 N8 Cl7"
_cell_length_a 13.290174
_cell_length_b 7.36416
_cell_length_c 11.930420559999998
_cell_angle_alpha 57.87495880999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
DeleteAroundAtomAction | a7611aa5-ab8e-41cd-bab6-319f0b578db0 | mp-31273 | Delete all atoms within 3.781 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural La8Cu4S16
_chemical_formula_sum "La8 Cu4 S16"
_cell_length_a 7.57804436
_cell_length_b 7.7499303
_cell_length_c 10.90141497
_cell_angle_alpha 75.46525323
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural La7Cu2S8
_chemical_formula_sum "La7 Cu2 S8"
_cell_length_a 7.57804436
_cell_length_b 7.7499303
_cell_length_c 10.90141497
_cell_angle_alpha 75.46525323
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
DeleteAroundAtomAction | 0f6b1b9d-8f59-4ec2-8eea-70a0ce6b2ef3 | mp-759173 | Delete all atoms within 2.064 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural LiV3O8
_chemical_formula_sum "Li1 V3 O8"
_cell_length_a 5.56596741
_cell_length_b 5.56596741
_cell_length_c 5.947745
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999295000002
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural LiVO7
_chemical_formula_sum "Li1 V1 O7"
_cell_length_a 5.56596741
_cell_length_b 5.56596741
_cell_length_c 5.947745
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999295000002
_space_group_name_H-M_alt "P 1... |
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