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 |
|---|---|---|---|---|---|
ChangeAtomAction | 5046f03e-3f58-473a-b34a-24bc3507f5ac | mp-1221127 | Change the atom at index 29 into Zr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na2U8V6O40
_chemical_formula_sum "Na2 U8 V6 O40"
_cell_length_a 7.33532564
_cell_length_b 7.335325640000001
_cell_length_c 18.084419980000003
_cell_angle_alpha 78.43447669
_cell_angle_beta 78.43447669
_cell_angle_gamma 89.99990058
... | data_image0
_chemical_formula_structural Na2U8V6O13ZrO26
_chemical_formula_sum "Na2 U8 V6 O39 Zr1"
_cell_length_a 7.33532564
_cell_length_b 7.335325640000001
_cell_length_c 18.084419980000003
_cell_angle_alpha 78.43447669
_cell_angle_beta 78.43447669
_cell_angle_gamma 89.9... |
ChangeAtomAction | b8a8fad8-30cb-4534-afe7-169c1a1a8a2f | mp-29075 | Change the atom at index 9 into Bh in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ga6Bi10Cl24
_chemical_formula_sum "Ga6 Bi10 Cl24"
_cell_length_a 12.22153651
_cell_length_b 12.22153651
_cell_length_c 12.22153664
_cell_angle_alpha 58.18940720000001
_cell_angle_beta 58.1894072
_cell_angle_gamma 58.18940156
_space... | data_image0
_chemical_formula_structural Ga6Bi3BhBi6Cl24
_chemical_formula_sum "Ga6 Bi9 Bh1 Cl24"
_cell_length_a 12.22153651
_cell_length_b 12.22153651
_cell_length_c 12.22153664
_cell_angle_alpha 58.18940720000001
_cell_angle_beta 58.1894072
_cell_angle_gamma 58.18940156
... |
ChangeAtomAction | 0ac10b4b-e495-454a-b788-d73212af7bc2 | mp-1239191 | Change the atom at index 3 into Fe in the cif file. The indices of atoms are started from 0. | 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 Cs3FeCr8S16
_chemical_formula_sum "Cs3 Fe1 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"
_s... |
ChangeAtomAction | 3119656f-5181-418c-b107-c9f4bb7b96d5 | mp-769513 | Change the atom at index 46 into Lr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Ti6Mn12O36
_chemical_formula_sum "Li8 Ti6 Mn12 O36"
_cell_length_a 2.909353
_cell_length_b 9.043173
_cell_length_c 25.924114
_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 Li8Ti6Mn12O20LrO15
_chemical_formula_sum "Li8 Ti6 Mn12 O35 Lr1"
_cell_length_a 2.909353
_cell_length_b 9.043173
_cell_length_c 25.924114
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | dbbbe7d9-8342-42b9-b49a-f7473af30888 | mp-1228744 | Change the atom at index 71 into Ce in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba6V8P12O48
_chemical_formula_sum "Ba6 V8 P12 O48"
_cell_length_a 10.082441
_cell_length_b 10.050738
_cell_length_c 10.07723152
_cell_angle_alpha 89.82967992
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba6V8P12O45CeO2
_chemical_formula_sum "Ba6 V8 P12 O47 Ce1"
_cell_length_a 10.082441
_cell_length_b 10.050738
_cell_length_c 10.07723152
_cell_angle_alpha 89.82967992
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
ChangeAtomAction | 20257701-46c5-46ad-866a-a5257d8c3479 | mp-28092 | Change the atom at index 60 into Tl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural B40H52O2
_chemical_formula_sum "B40 H52 O2"
_cell_length_a 13.41078563
_cell_length_b 13.41078563
_cell_length_c 10.39757687
_cell_angle_alpha 84.05207654
_cell_angle_beta 84.05207654
_cell_angle_gamma 33.33214107
_space_group_name... | data_image0
_chemical_formula_structural B40H20TlH31O2
_chemical_formula_sum "B40 H51 Tl1 O2"
_cell_length_a 13.41078563
_cell_length_b 13.41078563
_cell_length_c 10.39757687
_cell_angle_alpha 84.05207654
_cell_angle_beta 84.05207654
_cell_angle_gamma 33.33214107
_space_g... |
ChangeAtomAction | 6e2be957-150c-4d41-987b-8574da85c6cd | mp-727103 | Change the atom at index 18 into Ag in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2CuC6O16
_chemical_formula_sum "Ba2 Cu1 C6 O16"
_cell_length_a 6.775689
_cell_length_b 7.7992645000000005
_cell_length_c 9.83479338
_cell_angle_alpha 70.13118492
_cell_angle_beta 82.35314984
_cell_angle_gamma 83.34399386000001
_s... | data_image0
_chemical_formula_structural Ba2CuC6O9AgO6
_chemical_formula_sum "Ba2 Cu1 C6 O15 Ag1"
_cell_length_a 6.775689
_cell_length_b 7.7992645000000005
_cell_length_c 9.83479338
_cell_angle_alpha 70.13118492
_cell_angle_beta 82.35314984
_cell_angle_gamma 83.34399386000... |
ChangeAtomAction | 8be1be61-fa7c-47e8-be3b-4e3a8e131fc4 | mp-1245016 | Change the atom at index 43 into B in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cr24Fe8O48
_chemical_formula_sum "Cr24 Fe8 O48"
_cell_length_a 10.06045022
_cell_length_b 9.24392109
_cell_length_c 10.80210828
_cell_angle_alpha 89.0298009
_cell_angle_beta 81.14865852000001
_cell_angle_gamma 91.44994278
_space_gr... | data_image0
_chemical_formula_structural Cr24Fe8O11BO36
_chemical_formula_sum "Cr24 Fe8 O47 B1"
_cell_length_a 10.06045022
_cell_length_b 9.24392109
_cell_length_c 10.80210828
_cell_angle_alpha 89.0298009
_cell_angle_beta 81.14865852000001
_cell_angle_gamma 91.44994278
_s... |
ChangeAtomAction | b9518555-eb42-47f2-9928-eadd32eab9f7 | mp-1104301 | Change the atom at index 8 into Rh in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K3Pb2Cl8
_chemical_formula_sum "K3 Pb2 Cl8"
_cell_length_a 8.690223
_cell_length_b 8.99889746
_cell_length_c 9.01920649
_cell_angle_alpha 61.515895809999996
_cell_angle_beta 61.3617369
_cell_angle_gamma 61.98674132000001
_space_gro... | data_image0
_chemical_formula_structural K3Pb2Cl3RhCl4
_chemical_formula_sum "K3 Pb2 Cl7 Rh1"
_cell_length_a 8.690223
_cell_length_b 8.99889746
_cell_length_c 9.01920649
_cell_angle_alpha 61.515895809999996
_cell_angle_beta 61.3617369
_cell_angle_gamma 61.98674132000001
_... |
ChangeAtomAction | f0725203-457f-4091-97cc-2574e6053402 | mp-1199395 | Change the atom at index 15 into Ac in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zr4O12F20
_chemical_formula_sum "Zr4 O12 F20"
_cell_length_a 16.97047429
_cell_length_b 16.53675226
_cell_length_c 6.08330734
_cell_angle_alpha 83.58662603000002
_cell_angle_beta 75.54508631
_cell_angle_gamma 20.868287659999996
_sp... | data_image0
_chemical_formula_structural Zr4O11AcF20
_chemical_formula_sum "Zr4 O11 Ac1 F20"
_cell_length_a 16.97047429
_cell_length_b 16.53675226
_cell_length_c 6.08330734
_cell_angle_alpha 83.58662603000002
_cell_angle_beta 75.54508631
_cell_angle_gamma 20.86828765999999... |
ChangeAtomAction | a71f0723-f7c9-4aac-9c65-2180c99a407b | mp-33546 | Change the atom at index 0 into Np in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe4Cu2O8
_chemical_formula_sum "Fe4 Cu2 O8"
_cell_length_a 6.05119866
_cell_length_b 6.05119736
_cell_length_c 5.97388687
_cell_angle_alpha 119.89748608
_cell_angle_beta 119.89749192
_cell_angle_gamma 90.54960672999998
_space_group... | data_image0
_chemical_formula_structural NpFe3Cu2O8
_chemical_formula_sum "Np1 Fe3 Cu2 O8"
_cell_length_a 6.05119866
_cell_length_b 6.05119736
_cell_length_c 5.97388687
_cell_angle_alpha 119.89748608
_cell_angle_beta 119.89749192
_cell_angle_gamma 90.54960672999998
_space... |
ChangeAtomAction | d093b1c6-36d5-4035-ade1-63b2bf0950cd | mp-757949 | Change the atom at index 10 into Ga in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Fe8C8O28
_chemical_formula_sum "Li4 Fe8 C8 O28"
_cell_length_a 5.989784
_cell_length_b 9.33102
_cell_length_c 10.445336550000002
_cell_angle_alpha 64.01902233999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Li4Fe6GaFeC8O28
_chemical_formula_sum "Li4 Fe7 Ga1 C8 O28"
_cell_length_a 5.989784
_cell_length_b 9.33102
_cell_length_c 10.445336550000002
_cell_angle_alpha 64.01902233999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... |
ChangeAtomAction | 29bdd77c-8995-4649-a04d-95c8151c4eb1 | mp-2231666 | Change the atom at index 2 into Pu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgTiMnV4O12
_chemical_formula_sum "Mg1 Ti1 Mn1 V4 O12"
_cell_length_a 7.20376509
_cell_length_b 7.20367883
_cell_length_c 5.62995181
_cell_angle_alpha 79.42523223
_cell_angle_beta 100.57141359
_cell_angle_gamma 99.07126477999999
_s... | data_image0
_chemical_formula_structural MgTiPuV4O12
_chemical_formula_sum "Mg1 Ti1 Pu1 V4 O12"
_cell_length_a 7.20376509
_cell_length_b 7.20367883
_cell_length_c 5.62995181
_cell_angle_alpha 79.42523223
_cell_angle_beta 100.57141359
_cell_angle_gamma 99.07126477999999
_s... |
ChangeAtomAction | 9bc9412b-6a41-4cba-aba1-e3af94c2fa6a | mp-756079 | Change the atom at index 1 into C in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Mn2F12
_chemical_formula_sum "Li4 Mn2 F12"
_cell_length_a 5.04291432
_cell_length_b 5.04291432
_cell_length_c 9.003661
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000417
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural LiCLi2Mn2F12
_chemical_formula_sum "Li3 C1 Mn2 F12"
_cell_length_a 5.04291432
_cell_length_b 5.04291432
_cell_length_c 9.003661
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000417
_space_group_name_H-M_alt ... |
ChangeAtomAction | 0e29342d-4d92-4b0e-94bf-a4407fae96ab | mp-1208402 | Change the atom at index 2 into Mo in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural U2Pb2I12
_chemical_formula_sum "U2 Pb2 I12"
_cell_length_a 7.62870236
_cell_length_b 7.646974490000001
_cell_length_c 14.14774958
_cell_angle_alpha 90.02645336999998
_cell_angle_beta 89.93478277000001
_cell_angle_gamma 119.888295969... | data_image0
_chemical_formula_structural U2MoPbI12
_chemical_formula_sum "U2 Mo1 Pb1 I12"
_cell_length_a 7.62870236
_cell_length_b 7.646974490000001
_cell_length_c 14.14774958
_cell_angle_alpha 90.02645336999998
_cell_angle_beta 89.93478277000001
_cell_angle_gamma 119.8882... |
ChangeAtomAction | f969320c-a076-4255-9395-f17adcef2f6a | mp-13211 | Change the atom at index 5 into Os in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ag4Te4O14
_chemical_formula_sum "Ag4 Te4 O14"
_cell_length_a 7.32596274
_cell_length_b 7.32592416
_cell_length_c 7.32592584
_cell_angle_alpha 120.35561923
_cell_angle_beta 117.89328692000001
_cell_angle_gamma 91.53610832000001
_spa... | data_image0
_chemical_formula_structural Ag4TeOsTe2O14
_chemical_formula_sum "Ag4 Te3 Os1 O14"
_cell_length_a 7.32596274
_cell_length_b 7.32592416
_cell_length_c 7.32592584
_cell_angle_alpha 120.35561923
_cell_angle_beta 117.89328692000001
_cell_angle_gamma 91.536108320000... |
ChangeAtomAction | 4368d651-0a7e-458d-b22e-84813e2f16aa | mp-29226 | Change the atom at index 46 into Cf in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca9Ga12O27
_chemical_formula_sum "Ca9 Ga12 O27"
_cell_length_a 11.05868684
_cell_length_b 11.058686840000002
_cell_length_c 5.32453866
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 98.92564392000001
_space_group_na... | data_image0
_chemical_formula_structural Ca9Ga12O25CfO
_chemical_formula_sum "Ca9 Ga12 O26 Cf1"
_cell_length_a 11.05868684
_cell_length_b 11.058686840000002
_cell_length_c 5.32453866
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 98.92564392000001
_space_g... |
ChangeAtomAction | e7b35e16-c8c2-48a3-9788-c0f776c7495d | mp-15659 | Change the atom at index 7 into I in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sb4Pt6
_chemical_formula_sum "Sb4 Pt6"
_cell_length_a 5.34933934
_cell_length_b 6.54087588
_cell_length_c 6.94585597
_cell_angle_alpha 118.09182981
_cell_angle_beta 112.67539311
_cell_angle_gamma 89.99638829
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Sb4Pt3IPt2
_chemical_formula_sum "Sb4 Pt5 I1"
_cell_length_a 5.34933934
_cell_length_b 6.54087588
_cell_length_c 6.94585597
_cell_angle_alpha 118.09182981
_cell_angle_beta 112.67539311
_cell_angle_gamma 89.99638829
_space_group_nam... |
ChangeAtomAction | 3df4c2bd-1870-4357-ad68-333d2f2db9da | mp-1079634 | Change the atom at index 3 into W in the cif file. The indices of atoms are started from 0. | 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 Tb3WSn2Au4
_chemical_formula_sum "Tb3 W1 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_... |
ChangeAtomAction | f3747ae4-ad4c-4b81-9d12-636245f740a3 | mp-1235023 | Change the atom at index 11 into Ar in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural LiZn2Fe4O8
_chemical_formula_sum "Li1 Zn2 Fe4 O8"
_cell_length_a 6.1557658
_cell_length_b 6.155765599999999
_cell_length_c 5.91697548
_cell_angle_alpha 61.27510906
_cell_angle_beta 61.27511007999999
_cell_angle_gamma 57.266703329999... | data_image0
_chemical_formula_structural LiZn2Fe4O4ArO3
_chemical_formula_sum "Li1 Zn2 Fe4 O7 Ar1"
_cell_length_a 6.1557658
_cell_length_b 6.155765599999999
_cell_length_c 5.91697548
_cell_angle_alpha 61.27510906
_cell_angle_beta 61.27511007999999
_cell_angle_gamma 57.2667... |
ChangeAtomAction | 7613253a-f33b-42ae-8809-b8de21782ecc | mp-2230736 | Change the atom at index 15 into Ta in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb4MgV4O10
_chemical_formula_sum "Rb4 Mg1 V4 O10"
_cell_length_a 5.80427581
_cell_length_b 6.1005774
_cell_length_c 9.68276942
_cell_angle_alpha 107.24471817000001
_cell_angle_beta 107.54993829
_cell_angle_gamma 89.23265963000001
_... | data_image0
_chemical_formula_structural Rb4MgV4O6TaO3
_chemical_formula_sum "Rb4 Mg1 V4 O9 Ta1"
_cell_length_a 5.80427581
_cell_length_b 6.1005774
_cell_length_c 9.68276942
_cell_angle_alpha 107.24471817000001
_cell_angle_beta 107.54993829
_cell_angle_gamma 89.23265963000... |
ChangeAtomAction | b3cd0bd7-f365-4e1e-85d2-f91bd84dc58f | mp-1194859 | Change the atom at index 17 into Cn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al4V4Te8O32
_chemical_formula_sum "Al4 V4 Te8 O32"
_cell_length_a 8.104843
_cell_length_b 4.919119
_cell_length_c 17.93012588
_cell_angle_alpha 90.0
_cell_angle_beta 112.6719878
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Al4V4Te8OCnO30
_chemical_formula_sum "Al4 V4 Te8 O31 Cn1"
_cell_length_a 8.104843
_cell_length_b 4.919119
_cell_length_c 17.93012588
_cell_angle_alpha 90.0
_cell_angle_beta 112.6719878
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
ChangeAtomAction | 0f52bbab-f4be-424f-9558-763d179d682f | mp-1112917 | Change the atom at index 7 into Y in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs2ErCuCl6
_chemical_formula_sum "Cs2 Er1 Cu1 Cl6"
_cell_length_a 7.42327063
_cell_length_b 7.42327063
_cell_length_c 7.42327063
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Cs2ErCuCl3YCl2
_chemical_formula_sum "Cs2 Er1 Cu1 Cl5 Y1"
_cell_length_a 7.42327063
_cell_length_b 7.42327063
_cell_length_c 7.42327063
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999... |
ChangeAtomAction | 103f96e6-4ece-46e4-8044-6a19403d4119 | mp-754544 | Change the atom at index 15 into Bk in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K12V4P4C4O28
_chemical_formula_sum "K12 V4 P4 C4 O28"
_cell_length_a 5.69644773
_cell_length_b 9.673654089999998
_cell_length_c 13.990668999999999
_cell_angle_alpha 89.99900283
_cell_angle_beta 90.00185964
_cell_angle_gamma 89.95474... | data_image0
_chemical_formula_structural K12V3BkP4C4O28
_chemical_formula_sum "K12 V3 Bk1 P4 C4 O28"
_cell_length_a 5.69644773
_cell_length_b 9.673654089999998
_cell_length_c 13.990668999999999
_cell_angle_alpha 89.99900283
_cell_angle_beta 90.00185964
_cell_angle_gamma 89... |
ChangeAtomAction | 1e78f8f1-3ff7-48de-b023-8c9396b58ccd | mp-2217356 | Change the atom at index 1 into Bh in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2YMgBiO6
_chemical_formula_sum "Ba2 Y1 Mg1 Bi1 O6"
_cell_length_a 6.33993301
_cell_length_b 6.339093429999999
_cell_length_c 7.05925237
_cell_angle_alpha 63.47899969000001
_cell_angle_beta 63.31715937
_cell_angle_gamma 59.99561646... | data_image0
_chemical_formula_structural BaBhYMgBiO6
_chemical_formula_sum "Ba1 Bh1 Y1 Mg1 Bi1 O6"
_cell_length_a 6.33993301
_cell_length_b 6.339093429999999
_cell_length_c 7.05925237
_cell_angle_alpha 63.47899969000001
_cell_angle_beta 63.31715937
_cell_angle_gamma 59.995... |
ChangeAtomAction | e7233259-3db3-4fe0-acfe-6c19cbd3e76d | mp-989179 | Change the atom at index 25 into Zr in the cif file. The indices of atoms are started from 0. | 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 Mo8H2S15Zr
_chemical_formula_sum "Mo8 H2 S15 Zr1"
_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"
_spa... |
ChangeAtomAction | a353e464-555d-47d2-a8e6-56e2e3c5a206 | mp-558525 | Change the atom at index 1 into Ds in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V16Fe8O52
_chemical_formula_sum "V16 Fe8 O52"
_cell_length_a 9.41919459
_cell_length_b 8.30020151
_cell_length_c 14.565163260000002
_cell_angle_alpha 77.84105643
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural VDsV14Fe8O52
_chemical_formula_sum "V15 Ds1 Fe8 O52"
_cell_length_a 9.41919459
_cell_length_b 8.30020151
_cell_length_c 14.565163260000002
_cell_angle_alpha 77.84105643
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
ChangeAtomAction | 5d571166-c40c-4e00-831d-50b980383f8a | mp-1247690 | Change the atom at index 7 into Am in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural SrCa7Mn8O24
_chemical_formula_sum "Sr1 Ca7 Mn8 O24"
_cell_length_a 7.618931
_cell_length_b 7.618931
_cell_length_c 7.618931
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural SrCa6AmMn8O24
_chemical_formula_sum "Sr1 Ca6 Am1 Mn8 O24"
_cell_length_a 7.618931
_cell_length_b 7.618931
_cell_length_c 7.618931
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
ChangeAtomAction | f6304578-45fa-482f-9f81-aee755abbd78 | mp-755675 | Change the atom at index 14 into Eu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4AlCr3O8
_chemical_formula_sum "Li4 Al1 Cr3 O8"
_cell_length_a 5.07750464
_cell_length_b 5.915706729999999
_cell_length_c 5.85155662
_cell_angle_alpha 119.64187088
_cell_angle_beta 90.00106798000002
_cell_angle_gamma 73.41573531
... | data_image0
_chemical_formula_structural Li4AlCr3O6EuO
_chemical_formula_sum "Li4 Al1 Cr3 O7 Eu1"
_cell_length_a 5.07750464
_cell_length_b 5.915706729999999
_cell_length_c 5.85155662
_cell_angle_alpha 119.64187088
_cell_angle_beta 90.00106798000002
_cell_angle_gamma 73.415... |
ChangeAtomAction | 37d390c7-e74e-4562-a564-4d686fde334a | mp-706913 | Change the atom at index 14 into Pr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Be2H16N4O20
_chemical_formula_sum "Be2 H16 N4 O20"
_cell_length_a 8.86449396
_cell_length_b 8.86449396
_cell_length_c 8.86449396
_cell_angle_alpha 97.2495202
_cell_angle_beta 97.2495202
_cell_angle_gamma 138.38451916
_space_group_n... | data_image0
_chemical_formula_structural Be2H12PrH3N4O20
_chemical_formula_sum "Be2 H15 Pr1 N4 O20"
_cell_length_a 8.86449396
_cell_length_b 8.86449396
_cell_length_c 8.86449396
_cell_angle_alpha 97.2495202
_cell_angle_beta 97.2495202
_cell_angle_gamma 138.38451916
_space... |
ChangeAtomAction | 6be5194e-26a0-4a4d-936a-ddc0b4e1e448 | mp-1040902 | Change the atom at index 24 into Sc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg4Cr8P8O32
_chemical_formula_sum "Mg4 Cr8 P8 O32"
_cell_length_a 9.2256249
_cell_length_b 9.2256249
_cell_length_c 16.48756714
_cell_angle_alpha 61.10839695
_cell_angle_beta 61.10839695
_cell_angle_gamma 31.811494750000012
_space_... | data_image0
_chemical_formula_structural Mg4Cr8P8O4ScO27
_chemical_formula_sum "Mg4 Cr8 P8 O31 Sc1"
_cell_length_a 9.2256249
_cell_length_b 9.2256249
_cell_length_c 16.48756714
_cell_angle_alpha 61.10839695
_cell_angle_beta 61.10839695
_cell_angle_gamma 31.811494750000012
... |
ChangeAtomAction | 8c6ada19-872c-43e2-b41e-237836da26cf | mp-1041051 | Change the atom at index 17 into Os in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca6V12O24
_chemical_formula_sum "Ca6 V12 O24"
_cell_length_a 6.30176056
_cell_length_b 6.30176056
_cell_length_c 15.47552296
_cell_angle_alpha 89.87511083999999
_cell_angle_beta 89.87511083999999
_cell_angle_gamma 59.88871945
_spac... | data_image0
_chemical_formula_structural Ca6V11OsO24
_chemical_formula_sum "Ca6 V11 Os1 O24"
_cell_length_a 6.30176056
_cell_length_b 6.30176056
_cell_length_c 15.47552296
_cell_angle_alpha 89.87511083999999
_cell_angle_beta 89.87511083999999
_cell_angle_gamma 59.88871945
... |
ChangeAtomAction | fa7b9450-2a27-4e65-9bed-b8cb9be5df77 | mp-542493 | Change the atom at index 20 into Ds in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sc10Co8Si20
_chemical_formula_sum "Sc10 Co8 Si20"
_cell_length_a 11.95411681
_cell_length_b 11.95413612
_cell_length_c 3.9187231999999996
_cell_angle_alpha 90.00000677
_cell_angle_beta 90.00000261
_cell_angle_gamma 89.99945552
_spa... | data_image0
_chemical_formula_structural Sc10Co8Si2DsSi17
_chemical_formula_sum "Sc10 Co8 Si19 Ds1"
_cell_length_a 11.95411681
_cell_length_b 11.95413612
_cell_length_c 3.9187231999999996
_cell_angle_alpha 90.00000677
_cell_angle_beta 90.00000261
_cell_angle_gamma 89.99945... |
ChangeAtomAction | aa0a2805-b2ab-4e3e-b4b9-5bab07a81ffe | mp-23137 | Change the atom at index 3 into Bh in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2YBiO6
_chemical_formula_sum "Ba2 Y1 Bi1 O6"
_cell_length_a 6.16635721
_cell_length_b 6.16635721
_cell_length_c 6.16635721
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Ba2YBhO6
_chemical_formula_sum "Ba2 Y1 Bh1 O6"
_cell_length_a 6.16635721
_cell_length_b 6.16635721
_cell_length_c 6.16635721
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999999999... |
ChangeAtomAction | ceff20cc-c82d-4d65-ba1e-1480f94e273d | mp-1223688 | Change the atom at index 37 into Nb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La2Fe10Bi8O30
_chemical_formula_sum "La2 Fe10 Bi8 O30"
_cell_length_a 5.583138
_cell_length_b 12.52827421
_cell_length_c 9.677179550000002
_cell_angle_alpha 97.24303101
_cell_angle_beta 106.78181927
_cell_angle_gamma 102.87975701
_... | data_image0
_chemical_formula_structural La2Fe10Bi8O17NbO12
_chemical_formula_sum "La2 Fe10 Bi8 O29 Nb1"
_cell_length_a 5.583138
_cell_length_b 12.52827421
_cell_length_c 9.677179550000002
_cell_angle_alpha 97.24303101
_cell_angle_beta 106.78181927
_cell_angle_gamma 102.87... |
ChangeAtomAction | 8e249e48-5389-447f-8b51-dbd2ccc76413 | mp-1522181 | Change the atom at index 0 into Ba in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural NaLaSe4O12
_chemical_formula_sum "Na1 La1 Se4 O12"
_cell_length_a 6.15485582
_cell_length_b 6.15485582
_cell_length_c 7.40850818
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 106.01424357
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural BaLaSe4O12
_chemical_formula_sum "Ba1 La1 Se4 O12"
_cell_length_a 6.15485582
_cell_length_b 6.15485582
_cell_length_c 7.40850818
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 106.01424357
_space_group_name_H-M_alt ... |
ChangeAtomAction | eb15213d-df7a-4ea6-8415-7bde8c584119 | mp-758131 | Change the atom at index 26 into Ga in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V2P2H14N4O10
_chemical_formula_sum "V2 P2 H14 N4 O10"
_cell_length_a 4.959453
_cell_length_b 6.907673
_cell_length_c 8.562102240000002
_cell_angle_alpha 89.04946141
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural V2P2H14N4O4GaO5
_chemical_formula_sum "V2 P2 H14 N4 O9 Ga1"
_cell_length_a 4.959453
_cell_length_b 6.907673
_cell_length_c 8.562102240000002
_cell_angle_alpha 89.04946141
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
ChangeAtomAction | bb537ded-61e4-4fe7-bfb5-d2c8017ea5b4 | mp-1103082 | Change the atom at index 6 into Y in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm2Co6Ni2B2
_chemical_formula_sum "Sm2 Co6 Ni2 B2"
_cell_length_a 5.02491968
_cell_length_b 5.0237182
_cell_length_c 6.873177
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00790056
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sm2Co4YCoNi2B2
_chemical_formula_sum "Sm2 Co5 Y1 Ni2 B2"
_cell_length_a 5.02491968
_cell_length_b 5.0237182
_cell_length_c 6.873177
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00790056
_space_group_name_H-M_a... |
ChangeAtomAction | 0b7d27bd-1979-4737-b7d8-a485715b5168 | mp-4338 | Change the atom at index 1 into Rb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cr4Cd2S8
_chemical_formula_sum "Cr4 Cd2 S8"
_cell_length_a 7.2747481
_cell_length_b 7.27475351
_cell_length_c 7.27475428
_cell_angle_alpha 59.99988900999998
_cell_angle_beta 59.99983312
_cell_angle_gamma 59.99973922999999
_space_gr... | data_image0
_chemical_formula_structural CrRbCr2Cd2S8
_chemical_formula_sum "Cr3 Rb1 Cd2 S8"
_cell_length_a 7.2747481
_cell_length_b 7.27475351
_cell_length_c 7.27475428
_cell_angle_alpha 59.99988900999998
_cell_angle_beta 59.99983312
_cell_angle_gamma 59.99973922999999
_... |
ChangeAtomAction | 5da4446d-7eb6-49de-a36f-c0cf8634953e | mp-1205713 | Change the atom at index 9 into F in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2YUO6
_chemical_formula_sum "Ba2 Y1 U1 O6"
_cell_length_a 6.2390294
_cell_length_b 6.2390294
_cell_length_c 6.2390294
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_sp... | data_image0
_chemical_formula_structural Ba2YUO5F
_chemical_formula_sum "Ba2 Y1 U1 O5 F1"
_cell_length_a 6.2390294
_cell_length_b 6.2390294
_cell_length_c 6.2390294
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... |
ChangeAtomAction | 92902ddc-be7b-4134-959b-727b5d124f65 | mp-772666 | Change the atom at index 8 into Te in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Cr4O14
_chemical_formula_sum "Li4 Cr4 O14"
_cell_length_a 7.362134
_cell_length_b 7.22374633
_cell_length_c 6.537807259999999
_cell_angle_alpha 109.15766357
_cell_angle_beta 90.10747883
_cell_angle_gamma 116.14462927
_space_grou... | data_image0
_chemical_formula_structural Li4Cr4TeO13
_chemical_formula_sum "Li4 Cr4 Te1 O13"
_cell_length_a 7.362134
_cell_length_b 7.22374633
_cell_length_c 6.537807259999999
_cell_angle_alpha 109.15766357
_cell_angle_beta 90.10747883
_cell_angle_gamma 116.14462927
_spac... |
ChangeAtomAction | 83fdbf71-a3f2-4c6e-843a-d1c5fbf55b75 | mp-640883 | Change the atom at index 42 into N in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V8Bi8Pb16O48
_chemical_formula_sum "V8 Bi8 Pb16 O48"
_cell_length_a 5.824733
_cell_length_b 7.909258
_cell_length_c 30.358000030000003
_cell_angle_alpha 79.68016401
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural V8Bi8Pb16O10NO37
_chemical_formula_sum "V8 Bi8 Pb16 O47 N1"
_cell_length_a 5.824733
_cell_length_b 7.909258
_cell_length_c 30.358000030000003
_cell_angle_alpha 79.68016401
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
ChangeAtomAction | eca5d881-2f4a-43b0-ae3e-0132e96549da | mp-7998 | Change the atom at index 8 into Hg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Ge4O10
_chemical_formula_sum "Li4 Ge4 O10"
_cell_length_a 8.20316122
_cell_length_b 8.20316122
_cell_length_c 4.94905911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 137.53420009
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li4Ge4HgO9
_chemical_formula_sum "Li4 Ge4 Hg1 O9"
_cell_length_a 8.20316122
_cell_length_b 8.20316122
_cell_length_c 4.94905911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 137.53420009
_space_group_name_H-M_alt ... |
ChangeAtomAction | b3342f91-6207-4495-9cad-934df295e2db | mp-768696 | Change the atom at index 22 into No in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li6Cr6Fe2O16
_chemical_formula_sum "Li6 Cr6 Fe2 O16"
_cell_length_a 5.14531155
_cell_length_b 7.79461858
_cell_length_c 7.75117187
_cell_angle_alpha 81.86831959
_cell_angle_beta 70.76188174999999
_cell_angle_gamma 84.04967228
_spac... | data_image0
_chemical_formula_structural Li6Cr6Fe2O8NoO7
_chemical_formula_sum "Li6 Cr6 Fe2 O15 No1"
_cell_length_a 5.14531155
_cell_length_b 7.79461858
_cell_length_c 7.75117187
_cell_angle_alpha 81.86831959
_cell_angle_beta 70.76188174999999
_cell_angle_gamma 84.04967228... |
ChangeAtomAction | e4b6e987-33bf-4571-9928-e609d5818bd8 | mp-9619 | Change the atom at index 13 into Dy in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural ThFe4P12
_chemical_formula_sum "Th1 Fe4 P12"
_cell_length_a 6.73149237
_cell_length_b 6.73149087
_cell_length_c 6.73149244
_cell_angle_alpha 109.47121618
_cell_angle_beta 109.47121161
_cell_angle_gamma 109.47122107
_space_group_nam... | data_image0
_chemical_formula_structural ThFe4P8DyP3
_chemical_formula_sum "Th1 Fe4 P11 Dy1"
_cell_length_a 6.73149237
_cell_length_b 6.73149087
_cell_length_c 6.73149244
_cell_angle_alpha 109.47121618
_cell_angle_beta 109.47121161
_cell_angle_gamma 109.47122107
_space_gr... |
ChangeAtomAction | 12d525d3-3eca-498e-ae17-e63fbcf3ad9e | mp-1110571 | Change the atom at index 5 into Mo in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na3CrF6
_chemical_formula_sum "Na3 Cr1 F6"
_cell_length_a 5.79972
_cell_length_b 5.79972013
_cell_length_c 5.79972038
_cell_angle_alpha 60.00000193
_cell_angle_beta 60.00000217
_cell_angle_gamma 60.00000072000001
_space_group_name_... | data_image0
_chemical_formula_structural Na3CrFMoF4
_chemical_formula_sum "Na3 Cr1 F5 Mo1"
_cell_length_a 5.79972
_cell_length_b 5.79972013
_cell_length_c 5.79972038
_cell_angle_alpha 60.00000193
_cell_angle_beta 60.00000217
_cell_angle_gamma 60.00000072000001
_space_grou... |
ChangeAtomAction | 964074b0-f80c-40f8-8f87-f69312f60df7 | mp-2230574 | Change the atom at index 7 into Fm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La4MgMo2O12
_chemical_formula_sum "La4 Mg1 Mo2 O12"
_cell_length_a 5.64825642
_cell_length_b 5.9321261199999995
_cell_length_c 8.02016812
_cell_angle_alpha 88.89142471
_cell_angle_beta 92.23505318
_cell_angle_gamma 89.13409609
_spa... | data_image0
_chemical_formula_structural La4MgMo2FmO11
_chemical_formula_sum "La4 Mg1 Mo2 Fm1 O11"
_cell_length_a 5.64825642
_cell_length_b 5.9321261199999995
_cell_length_c 8.02016812
_cell_angle_alpha 88.89142471
_cell_angle_beta 92.23505318
_cell_angle_gamma 89.13409609... |
ChangeAtomAction | 08629e63-cd98-4465-bebe-e2483de79dea | mp-1019732 | Change the atom at index 2 into Re in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Eu4Al8O16
_chemical_formula_sum "Eu4 Al8 O16"
_cell_length_a 8.78679975
_cell_length_b 5.15898983
_cell_length_c 8.41576037
_cell_angle_alpha 86.64672714
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Eu2ReEuAl8O16
_chemical_formula_sum "Eu3 Re1 Al8 O16"
_cell_length_a 8.78679975
_cell_length_b 5.15898983
_cell_length_c 8.41576037
_cell_angle_alpha 86.64672714
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
ChangeAtomAction | b97f6ff7-044c-4e68-96a1-ce13788977cc | mp-1103079 | Change the atom at index 8 into Fl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm4Ga4Ni4
_chemical_formula_sum "Sm4 Ga4 Ni4"
_cell_length_a 4.38833465
_cell_length_b 7.01560545
_cell_length_c 7.18198278
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Sm4Ga4FlNi3
_chemical_formula_sum "Sm4 Ga4 Fl1 Ni3"
_cell_length_a 4.38833465
_cell_length_b 7.01560545
_cell_length_c 7.18198278
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
ChangeAtomAction | f18d9c41-aa44-4c67-a730-f17cc7931e0a | mp-541140 | Change the atom at index 20 into Rb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tl12Fe8S16
_chemical_formula_sum "Tl12 Fe8 S16"
_cell_length_a 7.482301
_cell_length_b 10.642815
_cell_length_c 11.309137
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Tl12Fe8RbS15
_chemical_formula_sum "Tl12 Fe8 Rb1 S15"
_cell_length_a 7.482301
_cell_length_b 10.642815
_cell_length_c 11.309137
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
ChangeAtomAction | 5377dd81-f800-463c-9b82-5260ea952a01 | mp-1205669 | Change the atom at index 1 into Nd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2YMoO6
_chemical_formula_sum "Ba2 Y1 Mo1 O6"
_cell_length_a 6.0192691
_cell_length_b 6.019269100000001
_cell_length_c 6.0192691
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999... | data_image0
_chemical_formula_structural BaNdYMoO6
_chemical_formula_sum "Ba1 Nd1 Y1 Mo1 O6"
_cell_length_a 6.0192691
_cell_length_b 6.019269100000001
_cell_length_c 6.0192691
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999... |
ChangeAtomAction | 3bc27dd1-fb8d-4ecc-a956-247c433d1732 | mp-567735 | Change the atom at index 14 into W in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd10Si6
_chemical_formula_sum "Nd10 Si6"
_cell_length_a 7.82581624
_cell_length_b 7.82581132
_cell_length_c 8.89325755
_cell_angle_alpha 116.10147128
_cell_angle_beta 116.10077918999998
_cell_angle_gamma 89.99726154
_space_group_na... | data_image0
_chemical_formula_structural Nd10Si4WSi
_chemical_formula_sum "Nd10 Si5 W1"
_cell_length_a 7.82581624
_cell_length_b 7.82581132
_cell_length_c 8.89325755
_cell_angle_alpha 116.10147128
_cell_angle_beta 116.10077918999998
_cell_angle_gamma 89.99726154
_space_gr... |
ChangeAtomAction | d288ebf9-476d-4230-a778-459a54798353 | mp-622785 | Change the atom at index 23 into V in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe16S16N16O16
_chemical_formula_sum "Fe16 S16 N16 O16"
_cell_length_a 10.435039
_cell_length_b 11.217004
_cell_length_c 15.292553349999999
_cell_angle_alpha 58.19865374999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... | data_image0
_chemical_formula_structural Fe16S7VS8N16O16
_chemical_formula_sum "Fe16 S15 V1 N16 O16"
_cell_length_a 10.435039
_cell_length_b 11.217004
_cell_length_c 15.292553349999999
_cell_angle_alpha 58.19865374999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space... |
ChangeAtomAction | 7044c29f-b831-4a22-b4ad-57ae7855a8a2 | mp-1075490 | Change the atom at index 6 into Sm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg10Si12
_chemical_formula_sum "Mg10 Si12"
_cell_length_a 3.76229
_cell_length_b 7.462234
_cell_length_c 15.16293852
_cell_angle_alpha 86.00713684
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Mg6SmMg3Si12
_chemical_formula_sum "Mg9 Sm1 Si12"
_cell_length_a 3.76229
_cell_length_b 7.462234
_cell_length_c 15.16293852
_cell_angle_alpha 86.00713684
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
ChangeAtomAction | 487fb51e-660b-40b8-a088-be0d529f59bb | mp-559695 | Change the atom at index 6 into Co in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs2RbBiF6
_chemical_formula_sum "Cs2 Rb1 Bi1 F6"
_cell_length_a 7.0531073
_cell_length_b 7.053107299999999
_cell_length_c 7.0531073
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural Cs2RbBiF2CoF3
_chemical_formula_sum "Cs2 Rb1 Bi1 F5 Co1"
_cell_length_a 7.0531073
_cell_length_b 7.053107299999999
_cell_length_c 7.0531073
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.... |
ChangeAtomAction | 3cb4f818-f0cf-4374-81d4-4c36163f1e69 | mp-1218118 | Change the atom at index 7 into P in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural SrSm3Mn4O12
_chemical_formula_sum "Sr1 Sm3 Mn4 O12"
_cell_length_a 7.759847
_cell_length_b 5.466754
_cell_length_c 5.65238137
_cell_angle_alpha 89.69635752
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural SrSm3Mn3PO12
_chemical_formula_sum "Sr1 Sm3 Mn3 P1 O12"
_cell_length_a 7.759847
_cell_length_b 5.466754
_cell_length_c 5.65238137
_cell_angle_alpha 89.69635752
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 3900a0eb-2124-4228-b701-ab9819211ef8 | mp-695887 | Change the atom at index 2 into Hf in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K3Cu2P4HO14
_chemical_formula_sum "K3 Cu2 P4 H1 O14"
_cell_length_a 5.26174534
_cell_length_b 5.52086112
_cell_length_c 12.69132558
_cell_angle_alpha 90.60332849
_cell_angle_beta 100.43952077
_cell_angle_gamma 117.17330493999998
_s... | data_image0
_chemical_formula_structural K2HfCu2P4HO14
_chemical_formula_sum "K2 Hf1 Cu2 P4 H1 O14"
_cell_length_a 5.26174534
_cell_length_b 5.52086112
_cell_length_c 12.69132558
_cell_angle_alpha 90.60332849
_cell_angle_beta 100.43952077
_cell_angle_gamma 117.173304939999... |
ChangeAtomAction | a3cad3a0-f66a-46e1-8824-d8693788ae37 | mp-1199758 | Change the atom at index 87 into Fe in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe4H32N12O52
_chemical_formula_sum "Fe4 H32 N12 O52"
_cell_length_a 14.96349093
_cell_length_b 7.04897543
_cell_length_c 11.04619457
_cell_angle_alpha 56.76809556
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Fe4H32N12O39FeO12
_chemical_formula_sum "Fe5 H32 N12 O51"
_cell_length_a 14.96349093
_cell_length_b 7.04897543
_cell_length_c 11.04619457
_cell_angle_alpha 56.76809556
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
ChangeAtomAction | e099c5c5-c5a5-4107-b066-46bceb2e069f | mp-1217522 | Change the atom at index 16 into Sn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tb4Ta4Ti4O24
_chemical_formula_sum "Tb4 Ta4 Ti4 O24"
_cell_length_a 5.250565
_cell_length_b 7.45333
_cell_length_c 11.090216
_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 Tb4Ta4Ti4O4SnO19
_chemical_formula_sum "Tb4 Ta4 Ti4 O23 Sn1"
_cell_length_a 5.250565
_cell_length_b 7.45333
_cell_length_c 11.090216
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
ChangeAtomAction | b788f243-d64a-4f74-9d71-493cbd52af9e | mp-1518352 | Change the atom at index 8 into Mc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural CaEuZrVO6
_chemical_formula_sum "Ca1 Eu1 Zr1 V1 O6"
_cell_length_a 5.67914791
_cell_length_b 5.67914791
_cell_length_c 5.679147909999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9... | data_image0
_chemical_formula_structural CaEuZrVO4McO
_chemical_formula_sum "Ca1 Eu1 Zr1 V1 O5 Mc1"
_cell_length_a 5.67914791
_cell_length_b 5.67914791
_cell_length_c 5.679147909999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... |
ChangeAtomAction | 5ccc90d0-3536-4a0e-8bc0-cc6596656aeb | mp-1199320 | Change the atom at index 43 into Mt in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na8Cr4P8O30
_chemical_formula_sum "Na8 Cr4 P8 O30"
_cell_length_a 9.877316
_cell_length_b 7.865719
_cell_length_c 10.52743636
_cell_angle_alpha 54.48099449
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Na8Cr4P8O23MtO6
_chemical_formula_sum "Na8 Cr4 P8 O29 Mt1"
_cell_length_a 9.877316
_cell_length_b 7.865719
_cell_length_c 10.52743636
_cell_angle_alpha 54.48099449
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
ChangeAtomAction | 1381725e-fdd3-43b4-bd5d-f1608df3e39f | mp-30823 | Change the atom at index 4 into Po in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pu10Os6
_chemical_formula_sum "Pu10 Os6"
_cell_length_a 8.23288286
_cell_length_b 8.23288286
_cell_length_c 8.23288286
_cell_angle_alpha 96.50346547
_cell_angle_beta 96.50346547
_cell_angle_gamma 140.66682847
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Pu4PoPu5Os6
_chemical_formula_sum "Pu9 Po1 Os6"
_cell_length_a 8.23288286
_cell_length_b 8.23288286
_cell_length_c 8.23288286
_cell_angle_alpha 96.50346547
_cell_angle_beta 96.50346547
_cell_angle_gamma 140.66682847
_space_group_na... |
ChangeAtomAction | 03bb9ef0-c501-4f04-ab0a-4a4d0d8a7a08 | mp-1207393 | Change the atom at index 15 into Co in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zr6Ga10
_chemical_formula_sum "Zr6 Ga10"
_cell_length_a 5.68468778
_cell_length_b 5.684686339999999
_cell_length_c 9.00047642
_cell_angle_alpha 90.00156011999998
_cell_angle_beta 90.00158053
_cell_angle_gamma 102.60473413999999
_sp... | data_image0
_chemical_formula_structural Zr6Ga9Co
_chemical_formula_sum "Zr6 Ga9 Co1"
_cell_length_a 5.68468778
_cell_length_b 5.684686339999999
_cell_length_c 9.00047642
_cell_angle_alpha 90.00156011999998
_cell_angle_beta 90.00158053
_cell_angle_gamma 102.60473413999999
... |
ChangeAtomAction | d927adba-f150-4cc3-b84b-b0c6d7809dfb | mp-1224145 | Change the atom at index 21 into Ds in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K8Mo8P8O44
_chemical_formula_sum "K8 Mo8 P8 O44"
_cell_length_a 10.3004
_cell_length_b 10.038354
_cell_length_c 10.06067308
_cell_angle_alpha 81.80227319
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural K8Mo8P5DsP2O44
_chemical_formula_sum "K8 Mo8 P7 Ds1 O44"
_cell_length_a 10.3004
_cell_length_b 10.038354
_cell_length_c 10.06067308
_cell_angle_alpha 81.80227319
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
ChangeAtomAction | c62a0744-1444-411e-81de-25020ea6ac62 | mp-558805 | Change the atom at index 23 into Te in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na12Nd4B8O24
_chemical_formula_sum "Na12 Nd4 B8 O24"
_cell_length_a 8.881597
_cell_length_b 6.671646
_cell_length_c 12.18936188
_cell_angle_alpha 57.77745432999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Na12Nd4B7TeO24
_chemical_formula_sum "Na12 Nd4 B7 Te1 O24"
_cell_length_a 8.881597
_cell_length_b 6.671646
_cell_length_c 12.18936188
_cell_angle_alpha 57.77745432999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
ChangeAtomAction | fc6dfde5-1106-45f7-842d-f2e422185453 | mp-27187 | Change the atom at index 2 into Lv in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Be8Tl4F20
_chemical_formula_sum "Be8 Tl4 F20"
_cell_length_a 4.62468618
_cell_length_b 8.04797323
_cell_length_c 12.20578461
_cell_angle_alpha 88.51685112
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Be2LvBe5Tl4F20
_chemical_formula_sum "Be7 Lv1 Tl4 F20"
_cell_length_a 4.62468618
_cell_length_b 8.04797323
_cell_length_c 12.20578461
_cell_angle_alpha 88.51685112
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
ChangeAtomAction | 536129ce-8a00-4451-9fd6-b56fcec0b527 | mp-1196630 | Change the atom at index 32 into Pb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe2Cu16Sb6S26N12
_chemical_formula_sum "Fe2 Cu16 Sb6 S26 N12"
_cell_length_a 12.46461247
_cell_length_b 12.46461247
_cell_length_c 12.46461247
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Fe2Cu16Sb6S8PbS17N12
_chemical_formula_sum "Fe2 Cu16 Sb6 S25 Pb1 N12"
_cell_length_a 12.46461247
_cell_length_b 12.46461247
_cell_length_c 12.46461247
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle... |
ChangeAtomAction | 1a4f52fc-59ec-4aa7-b616-2ccc1c1aede1 | mp-1103985 | Change the atom at index 5 into Fl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd9Pt6
_chemical_formula_sum "Nd9 Pt6"
_cell_length_a 7.70172695
_cell_length_b 7.701915030000001
_cell_length_c 7.701846680000001
_cell_angle_alpha 71.39027492
_cell_angle_beta 71.38926960999999
_cell_angle_gamma 71.38940419999999
... | data_image0
_chemical_formula_structural Nd5FlNd3Pt6
_chemical_formula_sum "Nd8 Fl1 Pt6"
_cell_length_a 7.70172695
_cell_length_b 7.701915030000001
_cell_length_c 7.701846680000001
_cell_angle_alpha 71.39027492
_cell_angle_beta 71.38926960999999
_cell_angle_gamma 71.389404... |
ChangeAtomAction | 6b84fc94-7c31-4d20-bb86-4ef16772cd61 | mp-26956 | Change the atom at index 1 into Ts in the cif file. The indices of atoms are started from 0. | 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 VTsV2P16O48
_chemical_formula_sum "V3 Ts1 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"
_spa... |
ChangeAtomAction | 2eccebe4-3e87-4a45-a65f-4ca80c78a8be | mp-1212166 | Change the atom at index 18 into Pr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2Eu2W4O16
_chemical_formula_sum "Li2 Eu2 W4 O16"
_cell_length_a 5.930097
_cell_length_b 5.150122
_cell_length_c 11.0886678
_cell_angle_alpha 67.27377906999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Li2Eu2W4O10PrO5
_chemical_formula_sum "Li2 Eu2 W4 O15 Pr1"
_cell_length_a 5.930097
_cell_length_b 5.150122
_cell_length_c 11.0886678
_cell_angle_alpha 67.27377906999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
ChangeAtomAction | e4babf9b-7cf8-4086-b363-e5716cc5bbf1 | mp-765221 | Change the atom at index 29 into Pa in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn12O2F22
_chemical_formula_sum "Mn12 O2 F22"
_cell_length_a 16.214164
_cell_length_b 4.964197
_cell_length_c 5.88786578
_cell_angle_alpha 89.10596181
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Mn12O2F15PaF6
_chemical_formula_sum "Mn12 O2 F21 Pa1"
_cell_length_a 16.214164
_cell_length_b 4.964197
_cell_length_c 5.88786578
_cell_angle_alpha 89.10596181
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 273b471c-3cba-41d1-8685-d20ee3008854 | mp-27757 | Change the atom at index 1 into Ni in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Be8B2
_chemical_formula_sum "Be8 B2"
_cell_length_a 3.35699684
_cell_length_b 3.35699684
_cell_length_c 7.00653647
_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_... | data_image0
_chemical_formula_structural BeNiBe6B2
_chemical_formula_sum "Be7 Ni1 B2"
_cell_length_a 3.35699684
_cell_length_b 3.35699684
_cell_length_c 7.00653647
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
ChangeAtomAction | aefba6ac-6bdf-45ec-ab7e-b620362fd7fc | mp-1379435 | Change the atom at index 7 into Rh in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li5Ni5O10
_chemical_formula_sum "Li5 Ni5 O10"
_cell_length_a 5.044044
_cell_length_b 5.0622307
_cell_length_c 7.55069839
_cell_angle_alpha 107.22642697
_cell_angle_beta 104.00352496
_cell_angle_gamma 100.02903078
_space_group_name_... | data_image0
_chemical_formula_structural Li5Ni2RhNi2O10
_chemical_formula_sum "Li5 Ni4 Rh1 O10"
_cell_length_a 5.044044
_cell_length_b 5.0622307
_cell_length_c 7.55069839
_cell_angle_alpha 107.22642697
_cell_angle_beta 104.00352496
_cell_angle_gamma 100.02903078
_space_gr... |
ChangeAtomAction | 6da0d937-6021-4a68-aa14-a5e9313b4744 | mp-1203991 | Change the atom at index 13 into Bk in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2PdS8O26
_chemical_formula_sum "K2 Pd1 S8 O26"
_cell_length_a 7.585394
_cell_length_b 8.946963800000002
_cell_length_c 9.30551478
_cell_angle_alpha 106.89890428999999
_cell_angle_beta 89.10166062999998
_cell_angle_gamma 107.9369395... | data_image0
_chemical_formula_structural K2PdS8O2BkO23
_chemical_formula_sum "K2 Pd1 S8 O25 Bk1"
_cell_length_a 7.585394
_cell_length_b 8.946963800000002
_cell_length_c 9.30551478
_cell_angle_alpha 106.89890428999999
_cell_angle_beta 89.10166062999998
_cell_angle_gamma 107... |
ChangeAtomAction | 59041819-e36e-477e-b670-4e26b6764e52 | mp-1218159 | Change the atom at index 7 into Mn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural SrNd2Cu2O6
_chemical_formula_sum "Sr1 Nd2 Cu2 O6"
_cell_length_a 10.24304913
_cell_length_b 10.24304913
_cell_length_c 10.243049130000001
_cell_angle_alpha 158.28571221
_cell_angle_beta 158.28571221
_cell_angle_gamma 30.898240179999... | data_image0
_chemical_formula_structural SrNd2Cu2O2MnO3
_chemical_formula_sum "Sr1 Nd2 Cu2 O5 Mn1"
_cell_length_a 10.24304913
_cell_length_b 10.24304913
_cell_length_c 10.243049130000001
_cell_angle_alpha 158.28571221
_cell_angle_beta 158.28571221
_cell_angle_gamma 30.8982... |
ChangeAtomAction | 57f00471-be07-49e0-a16d-ef5d2d7e8e1e | mp-1049246 | Change the atom at index 10 into Po in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La2Zn2Cr2W2O12
_chemical_formula_sum "La2 Zn2 Cr2 W2 O12"
_cell_length_a 5.44903963
_cell_length_b 5.697279
_cell_length_c 7.88062482
_cell_angle_alpha 90.0
_cell_angle_beta 89.14472273999999
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural La2Zn2Cr2W2O2PoO9
_chemical_formula_sum "La2 Zn2 Cr2 W2 O11 Po1"
_cell_length_a 5.44903963
_cell_length_b 5.697279
_cell_length_c 7.88062482
_cell_angle_alpha 90.0
_cell_angle_beta 89.14472273999999
_cell_angle_gamma 90.0
_space_gr... |
ChangeAtomAction | 53970c0b-fac5-4e66-9159-99cafd91d27e | mp-1110620 | Change the atom at index 1 into Ti in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na2TlCoF6
_chemical_formula_sum "Na2 Tl1 Co1 F6"
_cell_length_a 6.195451
_cell_length_b 6.19544992
_cell_length_c 6.19545011
_cell_angle_alpha 60.000003779999986
_cell_angle_beta 60.00000055999999
_cell_angle_gamma 59.99999958999999... | data_image0
_chemical_formula_structural NaTiTlCoF6
_chemical_formula_sum "Na1 Ti1 Tl1 Co1 F6"
_cell_length_a 6.195451
_cell_length_b 6.19544992
_cell_length_c 6.19545011
_cell_angle_alpha 60.000003779999986
_cell_angle_beta 60.00000055999999
_cell_angle_gamma 59.999999589... |
ChangeAtomAction | d9dfa4db-0211-49a2-94e5-6cc12ece0f52 | mp-1112377 | Change the atom at index 6 into Pd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2TaCuCl6
_chemical_formula_sum "K2 Ta1 Cu1 Cl6"
_cell_length_a 7.09717241
_cell_length_b 7.09717268
_cell_length_c 7.09717266
_cell_angle_alpha 59.99999906
_cell_angle_beta 59.99999863
_cell_angle_gamma 59.999998670000004
_space_g... | data_image0
_chemical_formula_structural K2TaCuCl2PdCl3
_chemical_formula_sum "K2 Ta1 Cu1 Cl5 Pd1"
_cell_length_a 7.09717241
_cell_length_b 7.09717268
_cell_length_c 7.09717266
_cell_angle_alpha 59.99999906
_cell_angle_beta 59.99999863
_cell_angle_gamma 59.999998670000004
... |
ChangeAtomAction | 3f721165-828b-4f40-ba53-3f365b04c7f9 | mp-27148 | Change the atom at index 19 into Tb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Be8P16
_chemical_formula_sum "Be8 P16"
_cell_length_a 7.09559749
_cell_length_b 7.09554379
_cell_length_c 7.91790262
_cell_angle_alpha 102.93066382999999
_cell_angle_beta 102.93109404
_cell_angle_gamma 89.99270083
_space_group_name... | data_image0
_chemical_formula_structural Be8P11TbP4
_chemical_formula_sum "Be8 P15 Tb1"
_cell_length_a 7.09559749
_cell_length_b 7.09554379
_cell_length_c 7.91790262
_cell_angle_alpha 102.93066382999999
_cell_angle_beta 102.93109404
_cell_angle_gamma 89.99270083
_space_gr... |
ChangeAtomAction | 65b385f6-6045-4427-87a2-e235ff357d54 | mp-1336779 | Change the atom at index 30 into Tb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Lu20Fe10S40
_chemical_formula_sum "Lu20 Fe10 S40"
_cell_length_a 7.560596
_cell_length_b 7.682109979999999
_cell_length_c 31.038779590000004
_cell_angle_alpha 96.46261670999999
_cell_angle_beta 90.21349288999998
_cell_angle_gamma 11... | data_image0
_chemical_formula_structural Lu20Fe10TbS39
_chemical_formula_sum "Lu20 Fe10 Tb1 S39"
_cell_length_a 7.560596
_cell_length_b 7.682109979999999
_cell_length_c 31.038779590000004
_cell_angle_alpha 96.46261670999999
_cell_angle_beta 90.21349288999998
_cell_angle_gamma... |
ChangeAtomAction | 5bae39f0-371e-4f33-912c-85ba3d337752 | mp-30385 | Change the atom at index 0 into Cd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ho8Au4
_chemical_formula_sum "Ho8 Au4"
_cell_length_a 4.92128578
_cell_length_b 7.05105613
_cell_length_c 8.82328982
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.00017434
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural CdHo7Au4
_chemical_formula_sum "Cd1 Ho7 Au4"
_cell_length_a 4.92128578
_cell_length_b 7.05105613
_cell_length_c 8.82328982
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.00017434
_space_group_name_H-M_alt "P 1... |
ChangeAtomAction | 5c9b2b86-7986-46f8-94c0-59385978b760 | mp-849990 | Change the atom at index 9 into Zn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Mn8B8O24
_chemical_formula_sum "Li4 Mn8 B8 O24"
_cell_length_a 5.304354
_cell_length_b 9.14812549
_cell_length_c 11.542364970000001
_cell_angle_alpha 112.63512446000001
_cell_angle_beta 101.95435242999999
_cell_angle_gamma 89.536... | data_image0
_chemical_formula_structural Li4Mn5ZnMn2B8O24
_chemical_formula_sum "Li4 Mn7 Zn1 B8 O24"
_cell_length_a 5.304354
_cell_length_b 9.14812549
_cell_length_c 11.542364970000001
_cell_angle_alpha 112.63512446000001
_cell_angle_beta 101.95435242999999
_cell_angle_gamma ... |
ChangeAtomAction | 063ebb6c-d3fb-402f-8ba9-305838535383 | mp-3536 | Change the atom at index 1 into Os in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg2Al4O8
_chemical_formula_sum "Mg2 Al4 O8"
_cell_length_a 5.7136991
_cell_length_b 5.7136987
_cell_length_c 5.713699650000001
_cell_angle_alpha 60.000006019999994
_cell_angle_beta 60.00000836
_cell_angle_gamma 60.00000319999999
_s... | data_image0
_chemical_formula_structural MgOsAl4O8
_chemical_formula_sum "Mg1 Os1 Al4 O8"
_cell_length_a 5.7136991
_cell_length_b 5.7136987
_cell_length_c 5.713699650000001
_cell_angle_alpha 60.000006019999994
_cell_angle_beta 60.00000836
_cell_angle_gamma 60.0000031999999... |
ChangeAtomAction | 4f135cfa-1add-4b61-afc2-1d927db74ce5 | mp-2232687 | Change the atom at index 11 into Bh in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgV4SnO12
_chemical_formula_sum "Mg1 V4 Sn1 O12"
_cell_length_a 7.02387619
_cell_length_b 7.02387624
_cell_length_c 5.79328966
_cell_angle_alpha 73.67689791
_cell_angle_beta 106.32311029
_cell_angle_gamma 100.78707567000001
_space_... | data_image0
_chemical_formula_structural MgV4SnO5BhO6
_chemical_formula_sum "Mg1 V4 Sn1 O11 Bh1"
_cell_length_a 7.02387619
_cell_length_b 7.02387624
_cell_length_c 5.79328966
_cell_angle_alpha 73.67689791
_cell_angle_beta 106.32311029
_cell_angle_gamma 100.78707567000001
... |
ChangeAtomAction | 60b073e8-7768-49d8-bd6e-ef4ba5945874 | mp-606949 | Change the atom at index 8 into Te in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural C12
_chemical_formula_sum "C12"
_cell_length_a 2.45625014
_cell_length_b 2.4562497799999994
_cell_length_c 29.4918787
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99943415000001
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural C8TeC3
_chemical_formula_sum "C11 Te1"
_cell_length_a 2.45625014
_cell_length_b 2.4562497799999994
_cell_length_c 29.4918787
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99943415000001
_space_group_name_H-M_al... |
ChangeAtomAction | f3a0acad-66e5-47a7-89c7-5c1e29a104f1 | mp-1207705 | Change the atom at index 11 into I in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tm4Rh4O12
_chemical_formula_sum "Tm4 Rh4 O12"
_cell_length_a 5.17444652
_cell_length_b 5.70187168
_cell_length_c 7.51159096
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Tm4Rh4O3IO8
_chemical_formula_sum "Tm4 Rh4 O11 I1"
_cell_length_a 5.17444652
_cell_length_b 5.70187168
_cell_length_c 7.51159096
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
ChangeAtomAction | 35cf4333-9ab5-40b5-bca9-c2dc242eccfa | mp-1210531 | Change the atom at index 8 into Pt in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pr14Br6O36
_chemical_formula_sum "Pr14 Br6 O36"
_cell_length_a 15.91249843
_cell_length_b 15.91249843
_cell_length_c 4.378747
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000178000002
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Pr8PtPr5Br6O36
_chemical_formula_sum "Pr13 Pt1 Br6 O36"
_cell_length_a 15.91249843
_cell_length_b 15.91249843
_cell_length_c 4.378747
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000178000002
_space_group_na... |
ChangeAtomAction | ec317639-1f4f-4227-8449-46e2321e3a05 | mp-627601 | Change the atom at index 15 into Fe in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ag4Sb4S8
_chemical_formula_sum "Ag4 Sb4 S8"
_cell_length_a 7.44579064
_cell_length_b 7.44579064
_cell_length_c 13.57904443
_cell_angle_alpha 84.22146683
_cell_angle_beta 84.22146683
_cell_angle_gamma 45.79840505
_space_group_name_H... | data_image0
_chemical_formula_structural Ag4Sb4S7Fe
_chemical_formula_sum "Ag4 Sb4 S7 Fe1"
_cell_length_a 7.44579064
_cell_length_b 7.44579064
_cell_length_c 13.57904443
_cell_angle_alpha 84.22146683
_cell_angle_beta 84.22146683
_cell_angle_gamma 45.79840505
_space_group_... |
ChangeAtomAction | 0b4fe9c5-96a2-49e7-b4b1-5563423c529b | mp-1111944 | Change the atom at index 9 into Fl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2InAuF6
_chemical_formula_sum "K2 In1 Au1 F6"
_cell_length_a 6.44079808
_cell_length_b 6.440798080000001
_cell_length_c 6.4407980799999995
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 5... | data_image0
_chemical_formula_structural K2InAuF5Fl
_chemical_formula_sum "K2 In1 Au1 F5 Fl1"
_cell_length_a 6.44079808
_cell_length_b 6.440798080000001
_cell_length_c 6.4407980799999995
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamm... |
ChangeAtomAction | b748c43c-0607-4600-bb6c-8582a4eec38b | mp-530 | Change the atom at index 0 into Sb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd8Sb6
_chemical_formula_sum "Nd8 Sb6"
_cell_length_a 8.24091983
_cell_length_b 8.24091861
_cell_length_c 8.24091918
_cell_angle_alpha 109.47121951
_cell_angle_beta 109.47121647
_cell_angle_gamma 109.47122773
_space_group_name_H-M_... | data_image0
_chemical_formula_structural SbNd7Sb6
_chemical_formula_sum "Sb7 Nd7"
_cell_length_a 8.24091983
_cell_length_b 8.24091861
_cell_length_c 8.24091918
_cell_angle_alpha 109.47121951
_cell_angle_beta 109.47121647
_cell_angle_gamma 109.47122773
_space_group_name_H-... |
ChangeAtomAction | 4c8d7238-cdd4-48d4-a24a-99a00ab792af | mp-1208318 | Change the atom at index 4 into Sg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tb4Si4Pt8
_chemical_formula_sum "Tb4 Si4 Pt8"
_cell_length_a 5.53302783
_cell_length_b 6.91622294
_cell_length_c 7.32087111
_cell_angle_alpha 89.99976744
_cell_angle_beta 89.9994296
_cell_angle_gamma 89.9999684
_space_group_name_H-... | data_image0
_chemical_formula_structural Tb4SgSi3Pt8
_chemical_formula_sum "Tb4 Sg1 Si3 Pt8"
_cell_length_a 5.53302783
_cell_length_b 6.91622294
_cell_length_c 7.32087111
_cell_angle_alpha 89.99976744
_cell_angle_beta 89.9994296
_cell_angle_gamma 89.9999684
_space_group_n... |
ChangeAtomAction | 3d924307-8586-4341-ba07-01a8f80df52a | mp-10834 | Change the atom at index 9 into He in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb2Nd4Cu2S8
_chemical_formula_sum "Rb2 Nd4 Cu2 S8"
_cell_length_a 7.34774261
_cell_length_b 7.34774261
_cell_length_c 14.03353693
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 147.70587414
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Rb2Nd4Cu2SHeS6
_chemical_formula_sum "Rb2 Nd4 Cu2 S7 He1"
_cell_length_a 7.34774261
_cell_length_b 7.34774261
_cell_length_c 14.03353693
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 147.70587414
_space_group_name_... |
ChangeAtomAction | 21ec0f16-3540-47bc-be88-21d31ecbc99b | mp-540267 | Change the atom at index 8 into Ti in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cr2P4O14
_chemical_formula_sum "Cr2 P4 O14"
_cell_length_a 6.335876
_cell_length_b 6.415262979999999
_cell_length_c 6.90502087
_cell_angle_alpha 89.08847891
_cell_angle_beta 113.74398703
_cell_angle_gamma 94.57539448
_space_group_n... | data_image0
_chemical_formula_structural Cr2P4O2TiO11
_chemical_formula_sum "Cr2 P4 O13 Ti1"
_cell_length_a 6.335876
_cell_length_b 6.415262979999999
_cell_length_c 6.90502087
_cell_angle_alpha 89.08847891
_cell_angle_beta 113.74398703
_cell_angle_gamma 94.57539448
_space... |
ChangeAtomAction | 4db854b8-1518-4920-8bab-cc6d71a7d2e0 | mp-757177 | Change the atom at index 19 into Db in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li12Cu2S8
_chemical_formula_sum "Li12 Cu2 S8"
_cell_length_a 7.990974
_cell_length_b 7.990974
_cell_length_c 5.678244
_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 Li12Cu2S5DbS2
_chemical_formula_sum "Li12 Cu2 S7 Db1"
_cell_length_a 7.990974
_cell_length_b 7.990974
_cell_length_c 5.678244
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
ChangeAtomAction | afdeda7d-b5c4-401e-9d48-8b8c7734a29a | mp-1194136 | Change the atom at index 4 into Ac in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti6Ga16Co7
_chemical_formula_sum "Ti6 Ga16 Co7"
_cell_length_a 8.35454299
_cell_length_b 8.35454299
_cell_length_c 8.35454299
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural Ti4AcTiGa16Co7
_chemical_formula_sum "Ti5 Ac1 Ga16 Co7"
_cell_length_a 8.35454299
_cell_length_b 8.35454299
_cell_length_c 8.35454299
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... |
ChangeAtomAction | 1ae476a5-4800-430f-b57b-1c6d1a350293 | mp-1042875 | Change the atom at index 38 into Ds in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn4As8O28
_chemical_formula_sum "Mn4 As8 O28"
_cell_length_a 9.313185
_cell_length_b 6.942376
_cell_length_c 9.63071261
_cell_angle_alpha 74.29205336
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Mn4As8O26DsO
_chemical_formula_sum "Mn4 As8 O27 Ds1"
_cell_length_a 9.313185
_cell_length_b 6.942376
_cell_length_c 9.63071261
_cell_angle_alpha 74.29205336
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | bad71a1a-bbac-4039-bb63-590e6906887c | mp-20268 | Change the atom at index 8 into Zr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti4Ge4Pd4
_chemical_formula_sum "Ti4 Ge4 Pd4"
_cell_length_a 3.84471038
_cell_length_b 6.4022481
_cell_length_c 7.552176479999999
_cell_angle_alpha 89.99749709
_cell_angle_beta 89.99999969999999
_cell_angle_gamma 89.99999966999998
... | data_image0
_chemical_formula_structural Ti4Ge4ZrPd3
_chemical_formula_sum "Ti4 Ge4 Zr1 Pd3"
_cell_length_a 3.84471038
_cell_length_b 6.4022481
_cell_length_c 7.552176479999999
_cell_angle_alpha 89.99749709
_cell_angle_beta 89.99999969999999
_cell_angle_gamma 89.9999996699... |
ChangeAtomAction | 3c5db6bd-7a5c-45e5-bd4b-54ec672a902b | mp-1175472 | Change the atom at index 3 into Al in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li9Co7O16
_chemical_formula_sum "Li9 Co7 O16"
_cell_length_a 2.929473
_cell_length_b 10.104921899999999
_cell_length_c 10.657468350000002
_cell_angle_alpha 113.67183449
_cell_angle_beta 96.31317624
_cell_angle_gamma 91.00675862
_sp... | data_image0
_chemical_formula_structural Li3AlLi5Co7O16
_chemical_formula_sum "Li8 Al1 Co7 O16"
_cell_length_a 2.929473
_cell_length_b 10.104921899999999
_cell_length_c 10.657468350000002
_cell_angle_alpha 113.67183449
_cell_angle_beta 96.31317624
_cell_angle_gamma 91.0067... |
ChangeAtomAction | 4f361cb4-d4f5-437f-a286-042b7fc044c8 | mp-756744 | Change the atom at index 4 into Gd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li6Co6B6O18
_chemical_formula_sum "Li6 Co6 B6 O18"
_cell_length_a 3.08925308
_cell_length_b 8.152493599999998
_cell_length_c 14.140741810000002
_cell_angle_alpha 89.99996666
_cell_angle_beta 90.08398567
_cell_angle_gamma 90.04659107... | data_image0
_chemical_formula_structural Li4GdLiCo6B6O18
_chemical_formula_sum "Li5 Gd1 Co6 B6 O18"
_cell_length_a 3.08925308
_cell_length_b 8.152493599999998
_cell_length_c 14.140741810000002
_cell_angle_alpha 89.99996666
_cell_angle_beta 90.08398567
_cell_angle_gamma 90.... |
ChangeAtomAction | 356c267e-34d0-4df7-b4b3-72ce7fecabad | mp-694554 | Change the atom at index 25 into Sb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn6P8O28
_chemical_formula_sum "Mn6 P8 O28"
_cell_length_a 8.07117758
_cell_length_b 7.08445815
_cell_length_c 9.39182409
_cell_angle_alpha 70.02909736999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mn6P8O11SbO16
_chemical_formula_sum "Mn6 P8 O27 Sb1"
_cell_length_a 8.07117758
_cell_length_b 7.08445815
_cell_length_c 9.39182409
_cell_angle_alpha 70.02909736999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
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