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 | a8ff720e-d0f4-4c5d-8c78-31b76901877a | mp-3380 | Change the atom at index 13 into O in the cif file. The indices of atoms are started from 0. | 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 La4Rh4C5OC2
_chemical_formula_sum "La4 Rh4 C7 O1"
_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"
_spac... |
ChangeAtomAction | 00dc1ac3-f8a0-4917-abd3-4ec8cee9a748 | mp-570405 | Change the atom at index 28 into F in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti4Hg24P16Cl28
_chemical_formula_sum "Ti4 Hg24 P16 Cl28"
_cell_length_a 12.046794
_cell_length_b 12.046794
_cell_length_c 12.046794
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ti4Hg24FP15Cl28
_chemical_formula_sum "Ti4 Hg24 F1 P15 Cl28"
_cell_length_a 12.046794
_cell_length_b 12.046794
_cell_length_c 12.046794
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 88e88041-a335-477b-b9d9-cbf743551ac7 | mp-19489 | Change the atom at index 48 into Lv in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm4Co4B20O40
_chemical_formula_sum "Sm4 Co4 B20 O40"
_cell_length_a 7.654513
_cell_length_b 8.746298
_cell_length_c 9.469615910000002
_cell_angle_alpha 86.99432535
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sm4Co4B20O20LvO19
_chemical_formula_sum "Sm4 Co4 B20 O39 Lv1"
_cell_length_a 7.654513
_cell_length_b 8.746298
_cell_length_c 9.469615910000002
_cell_angle_alpha 86.99432535
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
ChangeAtomAction | 4ccf3ee9-ac7c-471c-bcba-a774b238937d | mp-1197276 | Change the atom at index 51 into Ni in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La14I6O36
_chemical_formula_sum "La14 I6 O36"
_cell_length_a 16.40249444
_cell_length_b 16.40249444
_cell_length_c 4.250983
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000177999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural La14I6O31NiO4
_chemical_formula_sum "La14 I6 O35 Ni1"
_cell_length_a 16.40249444
_cell_length_b 16.40249444
_cell_length_c 4.250983
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000177999999
_space_group_name... |
ChangeAtomAction | c951c002-5897-4198-abe3-df028af25f21 | mp-1205145 | Change the atom at index 60 into Er in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na8Ti4Si16H8O52
_chemical_formula_sum "Na8 Ti4 Si16 H8 O52"
_cell_length_a 7.446428
_cell_length_b 8.787016
_cell_length_c 16.530264
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Na8Ti4Si16H8O24ErO27
_chemical_formula_sum "Na8 Ti4 Si16 H8 O51 Er1"
_cell_length_a 7.446428
_cell_length_b 8.787016
_cell_length_c 16.530264
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
ChangeAtomAction | 981a78cc-25ca-4510-970f-a8e88527617a | mp-1177530 | Change the atom at index 16 into Yb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Mn2Ni3Sn3O16
_chemical_formula_sum "Li4 Mn2 Ni3 Sn3 O16"
_cell_length_a 6.03544694
_cell_length_b 6.03544694
_cell_length_c 9.53802986
_cell_angle_alpha 89.87409019
_cell_angle_beta 89.87409019
_cell_angle_gamma 60.49918437000001... | data_image0
_chemical_formula_structural Li4Mn2Ni3Sn3O4YbO11
_chemical_formula_sum "Li4 Mn2 Ni3 Sn3 O15 Yb1"
_cell_length_a 6.03544694
_cell_length_b 6.03544694
_cell_length_c 9.53802986
_cell_angle_alpha 89.87409019
_cell_angle_beta 89.87409019
_cell_angle_gamma 60.499184... |
ChangeAtomAction | ed96e068-367d-487b-b396-a88b3fdcce6a | mp-19484 | Change the atom at index 2 into Pa in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba4Ca4V8O28
_chemical_formula_sum "Ba4 Ca4 V8 O28"
_cell_length_a 5.871943
_cell_length_b 7.615046
_cell_length_c 15.713467
_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 Ba2PaBaCa4V8O28
_chemical_formula_sum "Ba3 Pa1 Ca4 V8 O28"
_cell_length_a 5.871943
_cell_length_b 7.615046
_cell_length_c 15.713467
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
ChangeAtomAction | 8bfbdbc9-d61c-4780-b273-0235dc171c1d | mp-1237178 | Change the atom at index 3 into Rh in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Hf3NiF6
_chemical_formula_sum "Hf3 Ni1 F6"
_cell_length_a 6.82183954
_cell_length_b 4.95137311
_cell_length_c 12.058364869999998
_cell_angle_alpha 90.70131472
_cell_angle_beta 86.46719308
_cell_angle_gamma 133.25539137999996
_space... | data_image0
_chemical_formula_structural Hf3RhF6
_chemical_formula_sum "Hf3 Rh1 F6"
_cell_length_a 6.82183954
_cell_length_b 4.95137311
_cell_length_c 12.058364869999998
_cell_angle_alpha 90.70131472
_cell_angle_beta 86.46719308
_cell_angle_gamma 133.25539137999996
_space... |
ChangeAtomAction | 3d96c715-b6ce-4817-a505-73d661d92e22 | mp-11609 | Change the atom at index 6 into As in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sb2Mo4S4
_chemical_formula_sum "Sb2 Mo4 S4"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Sb2Mo4AsS3
_chemical_formula_sum "Sb2 Mo4 As1 S3"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | cd89a792-edc1-43eb-97f4-698aeb81acdd | mp-752908 | Change the atom at index 10 into Lu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li6Ni5O10
_chemical_formula_sum "Li6 Ni5 O10"
_cell_length_a 5.173842
_cell_length_b 5.63596531
_cell_length_c 7.7451140800000005
_cell_angle_alpha 70.79099217
_cell_angle_beta 70.80090629
_cell_angle_gamma 66.90567389
_space_group... | data_image0
_chemical_formula_structural Li6Ni4LuO10
_chemical_formula_sum "Li6 Ni4 Lu1 O10"
_cell_length_a 5.173842
_cell_length_b 5.63596531
_cell_length_c 7.7451140800000005
_cell_angle_alpha 70.79099217
_cell_angle_beta 70.80090629
_cell_angle_gamma 66.90567389
_space... |
ChangeAtomAction | 9bab16c5-5856-42bd-a593-ebe146357056 | mp-1224446 | Change the atom at index 8 into Cd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Hf3TaFe8
_chemical_formula_sum "Hf3 Ta1 Fe8"
_cell_length_a 4.94351674
_cell_length_b 4.94351723
_cell_length_c 8.06256995
_cell_angle_alpha 89.99999899
_cell_angle_beta 89.99998777
_cell_angle_gamma 119.99922461000001
_space_group... | data_image0
_chemical_formula_structural Hf3TaFe4CdFe3
_chemical_formula_sum "Hf3 Ta1 Fe7 Cd1"
_cell_length_a 4.94351674
_cell_length_b 4.94351723
_cell_length_c 8.06256995
_cell_angle_alpha 89.99999899
_cell_angle_beta 89.99998777
_cell_angle_gamma 119.99922461000001
_sp... |
ChangeAtomAction | 45adb69b-cbe0-4ed4-9e03-8d3f101880e9 | mp-1234927 | Change the atom at index 23 into Y in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgFe8O14F2
_chemical_formula_sum "Mg1 Fe8 O14 F2"
_cell_length_a 5.17318023
_cell_length_b 5.174828819999999
_cell_length_c 11.60459846
_cell_angle_alpha 90.64518616999999
_cell_angle_beta 89.40149404
_cell_angle_gamma 102.09013924
... | data_image0
_chemical_formula_structural MgFe8O14YF
_chemical_formula_sum "Mg1 Fe8 O14 Y1 F1"
_cell_length_a 5.17318023
_cell_length_b 5.174828819999999
_cell_length_c 11.60459846
_cell_angle_alpha 90.64518616999999
_cell_angle_beta 89.40149404
_cell_angle_gamma 102.090139... |
ChangeAtomAction | bcae4391-3295-483d-b9ad-69e9eb879458 | mp-2230845 | Change the atom at index 4 into Sc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgTi2Si4O12
_chemical_formula_sum "Mg1 Ti2 Si4 O12"
_cell_length_a 6.63563542
_cell_length_b 6.63563498
_cell_length_c 5.3560216
_cell_angle_alpha 74.90893322
_cell_angle_beta 105.09106296
_cell_angle_gamma 97.10995471000001
_space... | data_image0
_chemical_formula_structural MgTi2SiScSi2O12
_chemical_formula_sum "Mg1 Ti2 Si3 Sc1 O12"
_cell_length_a 6.63563542
_cell_length_b 6.63563498
_cell_length_c 5.3560216
_cell_angle_alpha 74.90893322
_cell_angle_beta 105.09106296
_cell_angle_gamma 97.10995471000001... |
ChangeAtomAction | 699b4984-5778-48d0-a891-3c7ede2857b1 | mp-27741 | Change the atom at index 8 into Nh in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Te4Au4I4
_chemical_formula_sum "Te4 Au4 I4"
_cell_length_a 7.30427224
_cell_length_b 7.646308469999999
_cell_length_c 7.82800078
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.89488352
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Te4Au4NhI3
_chemical_formula_sum "Te4 Au4 Nh1 I3"
_cell_length_a 7.30427224
_cell_length_b 7.646308469999999
_cell_length_c 7.82800078
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.89488352
_space_group_name_H-... |
ChangeAtomAction | 27623d87-6ff0-4abb-aaff-22a25d7f63e0 | mp-600038 | Change the atom at index 19 into V in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Si10O20
_chemical_formula_sum "Si10 O20"
_cell_length_a 13.81934545
_cell_length_b 6.91058365
_cell_length_c 6.41899888
_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 Si10O9VO10
_chemical_formula_sum "Si10 O19 V1"
_cell_length_a 13.81934545
_cell_length_b 6.91058365
_cell_length_c 6.41899888
_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 | da54e05f-56d7-4695-9e5f-1c4ceb7e4168 | mp-28179 | Change the atom at index 0 into Rg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na4Ta4Cl24
_chemical_formula_sum "Na4 Ta4 Cl24"
_cell_length_a 6.90728656
_cell_length_b 6.46103936
_cell_length_c 19.22184359
_cell_angle_alpha 88.37225246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural RgNa3Ta4Cl24
_chemical_formula_sum "Rg1 Na3 Ta4 Cl24"
_cell_length_a 6.90728656
_cell_length_b 6.46103936
_cell_length_c 19.22184359
_cell_angle_alpha 88.37225246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
ChangeAtomAction | cbda127a-7d1e-4258-946b-5af3b5afe145 | mp-1227155 | Change the atom at index 9 into Ce in the cif file. The indices of atoms are started from 0. | 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 Ca4Mg4ZnCeZn2
_chemical_formula_sum "Ca4 Mg4 Zn3 Ce1"
_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... |
ChangeAtomAction | a9567731-7c77-42ea-afc5-8d6050284b8b | mp-1190956 | Change the atom at index 20 into Fm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4H4C4O12
_chemical_formula_sum "K4 H4 C4 O12"
_cell_length_a 5.58946929
_cell_length_b 5.58946929
_cell_length_c 11.04977441
_cell_angle_alpha 75.80331787
_cell_angle_beta 75.80331787
_cell_angle_gamma 72.81330546
_space_group_nam... | data_image0
_chemical_formula_structural K4H4C4O8FmO3
_chemical_formula_sum "K4 H4 C4 O11 Fm1"
_cell_length_a 5.58946929
_cell_length_b 5.58946929
_cell_length_c 11.04977441
_cell_angle_alpha 75.80331787
_cell_angle_beta 75.80331787
_cell_angle_gamma 72.81330546
_space_gr... |
ChangeAtomAction | 58ee3fce-8eac-4cb4-9244-c0441a73de45 | mp-1227253 | Change the atom at index 4 into N in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural CaU3Ti8O24
_chemical_formula_sum "Ca1 U3 Ti8 O24"
_cell_length_a 7.50474
_cell_length_b 7.85782394
_cell_length_c 8.45750307
_cell_angle_alpha 98.93237861
_cell_angle_beta 111.53004347
_cell_angle_gamma 94.83442283
_space_group_nam... | data_image0
_chemical_formula_structural CaU3NTi7O24
_chemical_formula_sum "Ca1 U3 N1 Ti7 O24"
_cell_length_a 7.50474
_cell_length_b 7.85782394
_cell_length_c 8.45750307
_cell_angle_alpha 98.93237861
_cell_angle_beta 111.53004347
_cell_angle_gamma 94.83442283
_space_group... |
ChangeAtomAction | 00073c89-c70a-4f08-b38a-260d3dc6252a | mp-1036209 | Change the atom at index 24 into Se in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg14TiMnO16
_chemical_formula_sum "Mg14 Ti1 Mn1 O16"
_cell_length_a 8.608746
_cell_length_b 8.608746
_cell_length_c 4.274209
_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 Mg14TiMnO8SeO7
_chemical_formula_sum "Mg14 Ti1 Mn1 O15 Se1"
_cell_length_a 8.608746
_cell_length_b 8.608746
_cell_length_c 4.274209
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
ChangeAtomAction | 3354a5d4-f0ab-4eae-975a-6fcc6f4e4530 | mp-1076382 | Change the atom at index 30 into Ne in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La7SmFe8O24
_chemical_formula_sum "La7 Sm1 Fe8 O24"
_cell_length_a 7.902464
_cell_length_b 7.902464
_cell_length_c 7.902464
_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 La7SmFe8O14NeO9
_chemical_formula_sum "La7 Sm1 Fe8 O23 Ne1"
_cell_length_a 7.902464
_cell_length_b 7.902464
_cell_length_c 7.902464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
ChangeAtomAction | 6c9df434-1329-442c-bb4d-e93dddedd5ba | mp-775903 | Change the atom at index 38 into Rg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Mn4P8O28
_chemical_formula_sum "Li8 Mn4 P8 O28"
_cell_length_a 7.11528203
_cell_length_b 8.66272234
_cell_length_c 10.21943547
_cell_angle_alpha 92.88116626
_cell_angle_beta 108.95972731999998
_cell_angle_gamma 95.0002604
_space... | data_image0
_chemical_formula_structural Li8Mn4P8O18RgO9
_chemical_formula_sum "Li8 Mn4 P8 O27 Rg1"
_cell_length_a 7.11528203
_cell_length_b 8.66272234
_cell_length_c 10.21943547
_cell_angle_alpha 92.88116626
_cell_angle_beta 108.95972731999998
_cell_angle_gamma 95.0002604... |
ChangeAtomAction | 6d7da738-9a39-4617-bee4-ceefad18caef | mp-754739 | Change the atom at index 11 into Na in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca2Be6O8
_chemical_formula_sum "Ca2 Be6 O8"
_cell_length_a 4.57656117
_cell_length_b 4.57656117
_cell_length_c 8.786886
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998806
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Ca2Be6O3NaO4
_chemical_formula_sum "Ca2 Be6 O7 Na1"
_cell_length_a 4.57656117
_cell_length_b 4.57656117
_cell_length_c 8.786886
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998806
_space_group_name_H-M_alt ... |
ChangeAtomAction | 7c11dae9-3479-4afd-ba9b-f28054489f06 | mp-560553 | Change the atom at index 12 into Kr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ir4F24
_chemical_formula_sum "Ir4 F24"
_cell_length_a 4.92921834
_cell_length_b 8.50097651
_cell_length_c 9.30116834
_cell_angle_alpha 90.0
_cell_angle_beta 90.00008776
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Ir4F8KrF15
_chemical_formula_sum "Ir4 F23 Kr1"
_cell_length_a 4.92921834
_cell_length_b 8.50097651
_cell_length_c 9.30116834
_cell_angle_alpha 90.0
_cell_angle_beta 90.00008776
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
ChangeAtomAction | 2d9f1f7a-732a-4c62-be94-3a93a39b1c4e | mp-1105157 | Change the atom at index 19 into Zn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb2Nd2Mn2W2O12
_chemical_formula_sum "Rb2 Nd2 Mn2 W2 O12"
_cell_length_a 5.56756288
_cell_length_b 5.674125
_cell_length_c 9.62267506
_cell_angle_alpha 90.0
_cell_angle_beta 92.0812184
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Rb2Nd2Mn2W2O11Zn
_chemical_formula_sum "Rb2 Nd2 Mn2 W2 O11 Zn1"
_cell_length_a 5.56756288
_cell_length_b 5.674125
_cell_length_c 9.62267506
_cell_angle_alpha 90.0
_cell_angle_beta 92.0812184
_cell_angle_gamma 90.0
_space_group_name... |
ChangeAtomAction | da534888-18b4-487b-9987-61f9af3fba85 | mp-18973 | Change the atom at index 12 into Si in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Co4Se8O20
_chemical_formula_sum "Co4 Se8 O20"
_cell_length_a 6.03250795
_cell_length_b 6.854543640000001
_cell_length_c 10.32688205
_cell_angle_alpha 90.00041396
_cell_angle_beta 89.99939194000001
_cell_angle_gamma 89.99181073
_spa... | data_image0
_chemical_formula_structural Co4Se8SiO19
_chemical_formula_sum "Co4 Se8 Si1 O19"
_cell_length_a 6.03250795
_cell_length_b 6.854543640000001
_cell_length_c 10.32688205
_cell_angle_alpha 90.00041396
_cell_angle_beta 89.99939194000001
_cell_angle_gamma 89.99181073... |
ChangeAtomAction | e4e17565-9ac9-40bb-b58a-c5b427083196 | mp-1245851 | Change the atom at index 13 into N in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca28Cr4N24
_chemical_formula_sum "Ca28 Cr4 N24"
_cell_length_a 11.037586
_cell_length_b 6.251168
_cell_length_c 12.978754
_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 Ca13NCa14Cr4N24
_chemical_formula_sum "Ca27 N25 Cr4"
_cell_length_a 11.037586
_cell_length_b 6.251168
_cell_length_c 12.978754
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
ChangeAtomAction | c728f5f5-5e09-4e12-b34e-aa0450c50950 | mp-1205514 | Change the atom at index 0 into Bk in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2PuTaO6
_chemical_formula_sum "Ba2 Pu1 Ta1 O6"
_cell_length_a 6.10192281
_cell_length_b 6.10192281
_cell_length_c 6.10192281
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural BkBaPuTaO6
_chemical_formula_sum "Bk1 Ba1 Pu1 Ta1 O6"
_cell_length_a 6.10192281
_cell_length_b 6.10192281
_cell_length_c 6.10192281
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999999... |
ChangeAtomAction | 7d5666f0-3596-4bf9-84e4-2792fd31ca81 | mp-1073481 | Change the atom at index 10 into Be in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg4Si8
_chemical_formula_sum "Mg4 Si8"
_cell_length_a 5.22863097
_cell_length_b 5.22863097
_cell_length_c 12.24682311
_cell_angle_alpha 72.82107982000001
_cell_angle_beta 72.82107982000001
_cell_angle_gamma 39.74553267999999
_space... | data_image0
_chemical_formula_structural Mg4Si6BeSi
_chemical_formula_sum "Mg4 Si7 Be1"
_cell_length_a 5.22863097
_cell_length_b 5.22863097
_cell_length_c 12.24682311
_cell_angle_alpha 72.82107982000001
_cell_angle_beta 72.82107982000001
_cell_angle_gamma 39.74553267999999... |
ChangeAtomAction | fa289f7b-4e56-422c-b7fe-3dda2cf40a5b | mp-1192994 | Change the atom at index 18 into W in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ce6Al2V2S14
_chemical_formula_sum "Ce6 Al2 V2 S14"
_cell_length_a 10.01783423
_cell_length_b 10.01783423
_cell_length_c 5.998724
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000151999997
_space_group_name_H-... | data_image0
_chemical_formula_structural Ce6Al2V2S8WS5
_chemical_formula_sum "Ce6 Al2 V2 S13 W1"
_cell_length_a 10.01783423
_cell_length_b 10.01783423
_cell_length_c 5.998724
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000151999997
_space_group_na... |
ChangeAtomAction | 7dc85a89-a2b2-4b1f-9e08-4339a7f993e5 | mp-28507 | Change the atom at index 41 into Ti in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La16Nb14S44
_chemical_formula_sum "La16 Nb14 S44"
_cell_length_a 16.39108437
_cell_length_b 16.39108437
_cell_length_c 5.8438245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.68789976
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La16Nb14S11TiS32
_chemical_formula_sum "La16 Nb14 S43 Ti1"
_cell_length_a 16.39108437
_cell_length_b 16.39108437
_cell_length_c 5.8438245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.68789976
_space_group_name_... |
ChangeAtomAction | ec2b5098-b64d-4554-bfbd-5599ecf4d738 | mp-1204890 | Change the atom at index 46 into Yb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zr4N8O36
_chemical_formula_sum "Zr4 N8 O36"
_cell_length_a 8.21936925
_cell_length_b 9.38387715
_cell_length_c 10.37714086
_cell_angle_alpha 98.65103149
_cell_angle_beta 103.14163553
_cell_angle_gamma 85.06322259999999
_space_group... | data_image0
_chemical_formula_structural Zr4N8O34YbO
_chemical_formula_sum "Zr4 N8 O35 Yb1"
_cell_length_a 8.21936925
_cell_length_b 9.38387715
_cell_length_c 10.37714086
_cell_angle_alpha 98.65103149
_cell_angle_beta 103.14163553
_cell_angle_gamma 85.06322259999999
_spac... |
ChangeAtomAction | f0535c3c-8b6a-4c23-8c5d-ea59f51b54ff | mp-1203353 | Change the atom at index 14 into Sc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr20Pb16
_chemical_formula_sum "Sr20 Pb16"
_cell_length_a 8.615907
_cell_length_b 9.02643
_cell_length_c 17.707516
_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 Sr14ScSr5Pb16
_chemical_formula_sum "Sr19 Sc1 Pb16"
_cell_length_a 8.615907
_cell_length_b 9.02643
_cell_length_c 17.707516
_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 | c52210e8-3a8e-42bd-90b2-7c94c7cd10dc | mp-1204185 | Change the atom at index 5 into Rh in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ag12Te8W6O40
_chemical_formula_sum "Ag12 Te8 W6 O40"
_cell_length_a 15.52412535
_cell_length_b 15.52412535
_cell_length_c 9.71240627
_cell_angle_alpha 88.40717391
_cell_angle_beta 88.40717391
_cell_angle_gamma 25.386584279999997
_s... | data_image0
_chemical_formula_structural Ag5RhAg6Te8W6O40
_chemical_formula_sum "Ag11 Rh1 Te8 W6 O40"
_cell_length_a 15.52412535
_cell_length_b 15.52412535
_cell_length_c 9.71240627
_cell_angle_alpha 88.40717391
_cell_angle_beta 88.40717391
_cell_angle_gamma 25.38658427999... |
ChangeAtomAction | b0419898-08cf-467e-9340-692b45aa36b9 | mp-1235162 | Change the atom at index 6 into Ce in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2LiMn2O6
_chemical_formula_sum "Ba2 Li1 Mn2 O6"
_cell_length_a 6.24510184
_cell_length_b 5.64433747
_cell_length_c 5.25809243
_cell_angle_alpha 90.14061303000001
_cell_angle_beta 74.55834042
_cell_angle_gamma 116.96833983000002
_... | data_image0
_chemical_formula_structural Ba2LiMn2OCeO4
_chemical_formula_sum "Ba2 Li1 Mn2 O5 Ce1"
_cell_length_a 6.24510184
_cell_length_b 5.64433747
_cell_length_c 5.25809243
_cell_angle_alpha 90.14061303000001
_cell_angle_beta 74.55834042
_cell_angle_gamma 116.9683398300... |
ChangeAtomAction | d125a51d-27da-4955-8f6a-6cfbf314a1ab | mp-1197546 | Change the atom at index 18 into Cu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4Cu4As4O20
_chemical_formula_sum "Ca4 Cu4 As4 O20"
_cell_length_a 5.693418
_cell_length_b 7.548846
_cell_length_c 9.686539
_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 Ca4Cu4As4O6CuO13
_chemical_formula_sum "Ca4 Cu5 As4 O19"
_cell_length_a 5.693418
_cell_length_b 7.548846
_cell_length_c 9.686539
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
ChangeAtomAction | 65844c00-5627-4a80-a13f-02093d71fe17 | mp-886625 | Change the atom at index 5 into Bk 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 Li5BkNi4O10
_chemical_formula_sum "Li5 Bk1 Ni4 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... |
ChangeAtomAction | 52b9dc2a-ad35-40c4-bbef-08d0ba6ceb6d | mp-672679 | Change the atom at index 8 into Hs in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Y16In4Ir4
_chemical_formula_sum "Y16 In4 Ir4"
_cell_length_a 9.68633742
_cell_length_b 9.68635535
_cell_length_c 9.68635539
_cell_angle_alpha 59.999905070000004
_cell_angle_beta 59.99984649
_cell_angle_gamma 59.999844679999995
_spa... | data_image0
_chemical_formula_structural Y8HsY7In4Ir4
_chemical_formula_sum "Y15 Hs1 In4 Ir4"
_cell_length_a 9.68633742
_cell_length_b 9.68635535
_cell_length_c 9.68635539
_cell_angle_alpha 59.999905070000004
_cell_angle_beta 59.99984649
_cell_angle_gamma 59.99984467999999... |
ChangeAtomAction | 4713b24c-cb8d-4060-9946-620d581acc05 | mp-1209251 | Change the atom at index 10 into Lu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural RbAlSe2O8
_chemical_formula_sum "Rb1 Al1 Se2 O8"
_cell_length_a 5.09350549
_cell_length_b 5.09350549
_cell_length_c 8.914435
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999336
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural RbAlSe2O6LuO
_chemical_formula_sum "Rb1 Al1 Se2 O7 Lu1"
_cell_length_a 5.09350549
_cell_length_b 5.09350549
_cell_length_c 8.914435
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999336
_space_group_name_H-M_a... |
ChangeAtomAction | 6fe40d49-2c9d-4c48-b4f8-6dc67107e65f | mp-14794 | Change the atom at index 17 into Mg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K12Co2S8
_chemical_formula_sum "K12 Co2 S8"
_cell_length_a 9.80833811
_cell_length_b 9.80833811
_cell_length_c 7.717331
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000071999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K12Co2S3MgS4
_chemical_formula_sum "K12 Co2 S7 Mg1"
_cell_length_a 9.80833811
_cell_length_b 9.80833811
_cell_length_c 7.717331
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000071999999
_space_group_name_H-M... |
ChangeAtomAction | 7d4d2720-1357-4223-b15b-eb6c87518ec3 | mp-1245942 | Change the atom at index 9 into B in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn4Pb2N4
_chemical_formula_sum "Mn4 Pb2 N4"
_cell_length_a 6.18375855
_cell_length_b 6.19351817
_cell_length_c 8.73133051
_cell_angle_alpha 89.99999556
_cell_angle_beta 45.09050543000001
_cell_angle_gamma 59.94776901
_space_group_n... | data_image0
_chemical_formula_structural Mn4Pb2N3B
_chemical_formula_sum "Mn4 Pb2 N3 B1"
_cell_length_a 6.18375855
_cell_length_b 6.19351817
_cell_length_c 8.73133051
_cell_angle_alpha 89.99999556
_cell_angle_beta 45.09050543000001
_cell_angle_gamma 59.94776901
_space_gro... |
ChangeAtomAction | ae30904c-89d9-4ec6-b449-f16d379683eb | mp-1213955 | Change the atom at index 21 into Cs in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cd4N4O20
_chemical_formula_sum "Cd4 N4 O20"
_cell_length_a 3.794464
_cell_length_b 7.601727
_cell_length_c 14.405706
_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 Cd4N4O13CsO6
_chemical_formula_sum "Cd4 N4 O19 Cs1"
_cell_length_a 3.794464
_cell_length_b 7.601727
_cell_length_c 14.405706
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
ChangeAtomAction | 4ec90eff-c655-40f4-8a38-fac5be53d082 | mp-29778 | Change the atom at index 18 into Hf in the cif file. The indices of atoms are started from 0. | 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 Nd8Ge10HfGe3
_chemical_formula_sum "Nd8 Ge13 Hf1"
_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-... |
ChangeAtomAction | 27fa44f7-1547-423b-bfb3-e0f8314cdcea | mp-16811 | Change the atom at index 35 into Na in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ho8Mo4O24
_chemical_formula_sum "Ho8 Mo4 O24"
_cell_length_a 9.82081783
_cell_length_b 9.82081783
_cell_length_c 5.31611533
_cell_angle_alpha 74.81329250999998
_cell_angle_beta 74.81329250999998
_cell_angle_gamma 67.88044095
_space... | data_image0
_chemical_formula_structural Ho8Mo4O23Na
_chemical_formula_sum "Ho8 Mo4 O23 Na1"
_cell_length_a 9.82081783
_cell_length_b 9.82081783
_cell_length_c 5.31611533
_cell_angle_alpha 74.81329250999998
_cell_angle_beta 74.81329250999998
_cell_angle_gamma 67.88044095
... |
ChangeAtomAction | c19191fd-2467-42b7-be24-09cc2047588e | mp-1373426 | Change the atom at index 3 into Pu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4Ta2V2O12
_chemical_formula_sum "Ca4 Ta2 V2 O12"
_cell_length_a 7.75294
_cell_length_b 5.492636
_cell_length_c 5.676088649999999
_cell_angle_alpha 89.86543361
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Ca3PuTa2V2O12
_chemical_formula_sum "Ca3 Pu1 Ta2 V2 O12"
_cell_length_a 7.75294
_cell_length_b 5.492636
_cell_length_c 5.676088649999999
_cell_angle_alpha 89.86543361
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
ChangeAtomAction | 96fe6463-90b0-4643-9b1f-183c8f045902 | mp-777558 | Change the atom at index 28 into Ar in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li32Ti3Cr13O48
_chemical_formula_sum "Li32 Ti3 Cr13 O48"
_cell_length_a 5.054473
_cell_length_b 8.74335811
_cell_length_c 19.54708124
_cell_angle_alpha 97.99953062
_cell_angle_beta 94.93879759
_cell_angle_gamma 89.58071161
_space_g... | data_image0
_chemical_formula_structural Li28ArLi3Ti3Cr13O48
_chemical_formula_sum "Li31 Ar1 Ti3 Cr13 O48"
_cell_length_a 5.054473
_cell_length_b 8.74335811
_cell_length_c 19.54708124
_cell_angle_alpha 97.99953062
_cell_angle_beta 94.93879759
_cell_angle_gamma 89.58071161
... |
ChangeAtomAction | 34fbf24c-f8aa-4da4-907c-770b104c93e6 | mp-556173 | Change the atom at index 45 into Cd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural ZnAs2C6S12N12O6F12
_chemical_formula_sum "Zn1 As2 C6 S12 N12 O6 F12"
_cell_length_a 12.13840467
_cell_length_b 12.138404669999998
_cell_length_c 6.862646
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000365999... | data_image0
_chemical_formula_structural ZnAs2C6S12N12O6F6CdF5
_chemical_formula_sum "Zn1 As2 C6 S12 N12 O6 F11 Cd1"
_cell_length_a 12.13840467
_cell_length_b 12.138404669999998
_cell_length_c 6.862646
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000... |
ChangeAtomAction | d46fc479-7abd-4b60-bbb3-836c5f47195e | mp-28263 | Change the atom at index 23 into Cm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4H12O8
_chemical_formula_sum "K4 H12 O8"
_cell_length_a 5.69184007
_cell_length_b 5.7809945
_cell_length_c 7.87531014
_cell_angle_alpha 70.21423391
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural K4H12O7Cm
_chemical_formula_sum "K4 H12 O7 Cm1"
_cell_length_a 5.69184007
_cell_length_b 5.7809945
_cell_length_c 7.87531014
_cell_angle_alpha 70.21423391
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
ChangeAtomAction | 0166b19e-b5e0-4c8f-aab3-cfa52547c2f6 | mp-1217519 | Change the atom at index 18 into Co in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Th2V4Pb2O16
_chemical_formula_sum "Th2 V4 Pb2 O16"
_cell_length_a 6.80264855
_cell_length_b 7.00778456
_cell_length_c 7.31435521
_cell_angle_alpha 88.92328545000001
_cell_angle_beta 87.87128071
_cell_angle_gamma 75.82591832
_space_... | data_image0
_chemical_formula_structural Th2V4Pb2O10CoO5
_chemical_formula_sum "Th2 V4 Pb2 O15 Co1"
_cell_length_a 6.80264855
_cell_length_b 7.00778456
_cell_length_c 7.31435521
_cell_angle_alpha 88.92328545000001
_cell_angle_beta 87.87128071
_cell_angle_gamma 75.82591832
... |
ChangeAtomAction | c3d85cfb-eb4d-4f03-9ac7-534c6a3fc90b | mp-1106213 | Change the atom at index 10 into Lu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd4Mg2Ir2O12
_chemical_formula_sum "Nd4 Mg2 Ir2 O12"
_cell_length_a 5.730526
_cell_length_b 5.522466
_cell_length_c 9.62707603
_cell_angle_alpha 54.87808868
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nd4Mg2Ir2O2LuO9
_chemical_formula_sum "Nd4 Mg2 Ir2 O11 Lu1"
_cell_length_a 5.730526
_cell_length_b 5.522466
_cell_length_c 9.62707603
_cell_angle_alpha 54.87808868
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
ChangeAtomAction | cef4cba0-ad51-4e19-98ab-ed87500b6868 | mp-1247447 | Change the atom at index 6 into U in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg2Sc3MnS8
_chemical_formula_sum "Mg2 Sc3 Mn1 S8"
_cell_length_a 7.52845767
_cell_length_b 7.47838708
_cell_length_c 7.53267421
_cell_angle_alpha 59.84947479
_cell_angle_beta 59.87627726
_cell_angle_gamma 59.906511939999994
_space_... | data_image0
_chemical_formula_structural Mg2Sc3MnUS7
_chemical_formula_sum "Mg2 Sc3 Mn1 U1 S7"
_cell_length_a 7.52845767
_cell_length_b 7.47838708
_cell_length_c 7.53267421
_cell_angle_alpha 59.84947479
_cell_angle_beta 59.87627726
_cell_angle_gamma 59.906511939999994
_sp... |
ChangeAtomAction | ab6e1f4d-ccc6-4f59-85a8-128e96259018 | mp-1210947 | Change the atom at index 6 into Fe in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Lu2Ag2W4O16
_chemical_formula_sum "Lu2 Ag2 W4 O16"
_cell_length_a 7.30273406
_cell_length_b 7.302734059999999
_cell_length_c 7.27179264
_cell_angle_alpha 66.0465554
_cell_angle_beta 66.0465554
_cell_angle_gamma 94.31513562
_space_g... | data_image0
_chemical_formula_structural Lu2Ag2W2FeWO16
_chemical_formula_sum "Lu2 Ag2 W3 Fe1 O16"
_cell_length_a 7.30273406
_cell_length_b 7.302734059999999
_cell_length_c 7.27179264
_cell_angle_alpha 66.0465554
_cell_angle_beta 66.0465554
_cell_angle_gamma 94.31513562
_... |
ChangeAtomAction | 4e0aeda5-ccc3-4a34-9466-33a34770ecc2 | mp-1205853 | Change the atom at index 3 into Sg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd4In2Au4
_chemical_formula_sum "Nd4 In2 Au4"
_cell_length_a 8.04285031
_cell_length_b 8.04285031
_cell_length_c 3.92047908
_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 Nd3SgIn2Au4
_chemical_formula_sum "Nd3 Sg1 In2 Au4"
_cell_length_a 8.04285031
_cell_length_b 8.04285031
_cell_length_c 3.92047908
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
ChangeAtomAction | 0541d54b-9b5e-4738-8dca-76582d2b4e1e | mp-1235023 | Change the atom at index 9 into Db 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 LiZn2Fe4O2DbO5
_chemical_formula_sum "Li1 Zn2 Fe4 O7 Db1"
_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 | ca20e78c-5c75-495a-9e43-063ef2b4f248 | mp-1228731 | Change the atom at index 22 into Rb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2Li3La3Mo8O32
_chemical_formula_sum "Ba2 Li3 La3 Mo8 O32"
_cell_length_a 5.410768
_cell_length_b 7.12630652
_cell_length_c 19.5086422
_cell_angle_alpha 89.28252639999998
_cell_angle_beta 89.65150307
_cell_angle_gamma 68.11374492
... | data_image0
_chemical_formula_structural Ba2Li3La3Mo8O6RbO25
_chemical_formula_sum "Ba2 Li3 La3 Mo8 O31 Rb1"
_cell_length_a 5.410768
_cell_length_b 7.12630652
_cell_length_c 19.5086422
_cell_angle_alpha 89.28252639999998
_cell_angle_beta 89.65150307
_cell_angle_gamma 68.11... |
ChangeAtomAction | 685acbe2-f919-4391-b395-27a96240f9f4 | mp-2241183 | Change the atom at index 12 into Li in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgNb3SiO10
_chemical_formula_sum "Mg1 Nb3 Si1 O10"
_cell_length_a 5.43041626
_cell_length_b 5.602910460000001
_cell_length_c 7.38994443
_cell_angle_alpha 107.93183047
_cell_angle_beta 110.36968069
_cell_angle_gamma 89.56181386000002... | data_image0
_chemical_formula_structural MgNb3SiO7LiO2
_chemical_formula_sum "Mg1 Nb3 Si1 O9 Li1"
_cell_length_a 5.43041626
_cell_length_b 5.602910460000001
_cell_length_c 7.38994443
_cell_angle_alpha 107.93183047
_cell_angle_beta 110.36968069
_cell_angle_gamma 89.56181386... |
ChangeAtomAction | d180862c-880c-493c-9f98-681e9957aee4 | mp-1522797 | Change the atom at index 5 into Kr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural BaTiNbGaO6
_chemical_formula_sum "Ba1 Ti1 Nb1 Ga1 O6"
_cell_length_a 5.71715084
_cell_length_b 5.71715084
_cell_length_c 5.71715084
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.00000000... | data_image0
_chemical_formula_structural BaTiNbGaOKrO4
_chemical_formula_sum "Ba1 Ti1 Nb1 Ga1 O5 Kr1"
_cell_length_a 5.71715084
_cell_length_b 5.71715084
_cell_length_c 5.71715084
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.0... |
ChangeAtomAction | a3bd46f4-d78d-402b-a033-da006918b01e | mp-1245775 | Change the atom at index 28 into Kr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr12Ta8N16
_chemical_formula_sum "Sr12 Ta8 N16"
_cell_length_a 6.158844
_cell_length_b 10.799599
_cell_length_c 10.015613
_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 Sr12Ta8N8KrN7
_chemical_formula_sum "Sr12 Ta8 N15 Kr1"
_cell_length_a 6.158844
_cell_length_b 10.799599
_cell_length_c 10.015613
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
ChangeAtomAction | ce93bddb-c6c5-49f9-a851-26ba8d3963ba | mp-2220668 | Change the atom at index 1 into Sc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr2MgTi6N2O11
_chemical_formula_sum "Sr2 Mg1 Ti6 N2 O11"
_cell_length_a 3.80235431
_cell_length_b 7.998764460000001
_cell_length_c 10.69973714
_cell_angle_alpha 72.97223192
_cell_angle_beta 89.99766364
_cell_angle_gamma 76.25787147
... | data_image0
_chemical_formula_structural SrScMgTi6N2O11
_chemical_formula_sum "Sr1 Sc1 Mg1 Ti6 N2 O11"
_cell_length_a 3.80235431
_cell_length_b 7.998764460000001
_cell_length_c 10.69973714
_cell_angle_alpha 72.97223192
_cell_angle_beta 89.99766364
_cell_angle_gamma 76.2578... |
ChangeAtomAction | e3cd49b2-d9da-4dee-bdc7-3b04305423e7 | mp-758878 | Change the atom at index 8 into Yb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li3Fe8O3F13
_chemical_formula_sum "Li3 Fe8 O3 F13"
_cell_length_a 6.31150868
_cell_length_b 6.31150868
_cell_length_c 10.450769760000002
_cell_angle_alpha 72.02306054
_cell_angle_beta 72.02306054
_cell_angle_gamma 59.370140129999996... | data_image0
_chemical_formula_structural Li3Fe5YbFe2O3F13
_chemical_formula_sum "Li3 Fe7 Yb1 O3 F13"
_cell_length_a 6.31150868
_cell_length_b 6.31150868
_cell_length_c 10.450769760000002
_cell_angle_alpha 72.02306054
_cell_angle_beta 72.02306054
_cell_angle_gamma 59.370140... |
ChangeAtomAction | cc795c71-73a6-4ce8-b8f4-99a97b28fc63 | mp-1175561 | Change the atom at index 25 into Gd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.101485
_cell_length_b 5.872855
_cell_length_c 10.069959919999999
_cell_angle_alpha 105.5057263
_cell_angle_beta 100.71809932000001
_cell_angle_gamma 90.36779529
... | data_image0
_chemical_formula_structural Li9Mn2Co5O9GdO6
_chemical_formula_sum "Li9 Mn2 Co5 O15 Gd1"
_cell_length_a 5.101485
_cell_length_b 5.872855
_cell_length_c 10.069959919999999
_cell_angle_alpha 105.5057263
_cell_angle_beta 100.71809932000001
_cell_angle_gamma 90.367... |
ChangeAtomAction | 2d9c9c4e-cd94-497e-a00f-6ce9d57532c1 | mp-1746 | Change the atom at index 2 into Ta in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg4F8
_chemical_formula_sum "Mg4 F8"
_cell_length_a 5.012339
_cell_length_b 5.012339
_cell_length_c 5.012339
_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_IT_num... | data_image0
_chemical_formula_structural Mg2TaMgF8
_chemical_formula_sum "Mg3 Ta1 F8"
_cell_length_a 5.012339
_cell_length_b 5.012339
_cell_length_c 5.012339
_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... |
ChangeAtomAction | 9f341e2c-9ba8-42c8-9212-e65bb46abd73 | mp-1223525 | Change the atom at index 10 into Fe in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural KLa7Cu4O16
_chemical_formula_sum "K1 La7 Cu4 O16"
_cell_length_a 13.65327428
_cell_length_b 13.65327428
_cell_length_c 13.65327428
_cell_angle_alpha 157.12581394000003
_cell_angle_beta 157.12581394000003
_cell_angle_gamma 32.5713970... | data_image0
_chemical_formula_structural KLa7Cu2FeCuO16
_chemical_formula_sum "K1 La7 Cu3 Fe1 O16"
_cell_length_a 13.65327428
_cell_length_b 13.65327428
_cell_length_c 13.65327428
_cell_angle_alpha 157.12581394000003
_cell_angle_beta 157.12581394000003
_cell_angle_gamma 32... |
ChangeAtomAction | 637a4b52-d195-4bcb-a059-a0d7af028c91 | mp-1110869 | Change the atom at index 2 into Md in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2LiBiCl6
_chemical_formula_sum "K2 Li1 Bi1 Cl6"
_cell_length_a 7.45983371
_cell_length_b 7.45983371
_cell_length_c 7.45983371
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural K2MdBiCl6
_chemical_formula_sum "K2 Md1 Bi1 Cl6"
_cell_length_a 7.45983371
_cell_length_b 7.45983371
_cell_length_c 7.45983371
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... |
ChangeAtomAction | 9e40961e-d333-4013-8fac-bc5901a17c38 | mp-541646 | Change the atom at index 22 into Ta in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs6Ru4Cl18
_chemical_formula_sum "Cs6 Ru4 Cl18"
_cell_length_a 7.32403622
_cell_length_b 7.32402811
_cell_length_c 17.73420393
_cell_angle_alpha 89.99982571
_cell_angle_beta 90.00021655999998
_cell_angle_gamma 120.00020056
_space_g... | data_image0
_chemical_formula_structural Cs6Ru4Cl12TaCl5
_chemical_formula_sum "Cs6 Ru4 Cl17 Ta1"
_cell_length_a 7.32403622
_cell_length_b 7.32402811
_cell_length_c 17.73420393
_cell_angle_alpha 89.99982571
_cell_angle_beta 90.00021655999998
_cell_angle_gamma 120.00020056
... |
ChangeAtomAction | e13dd4d3-2db0-42ef-a08e-48be78e983be | mp-1227353 | Change the atom at index 2 into Ne in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ce4Ni2Sn4Pt2
_chemical_formula_sum "Ce4 Ni2 Sn4 Pt2"
_cell_length_a 4.577046
_cell_length_b 7.381462
_cell_length_c 7.916191
_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 Ce2NeCeNi2Sn4Pt2
_chemical_formula_sum "Ce3 Ne1 Ni2 Sn4 Pt2"
_cell_length_a 4.577046
_cell_length_b 7.381462
_cell_length_c 7.916191
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
ChangeAtomAction | 4aecf048-cb1e-49d8-af3e-bcea898be473 | mp-26157 | Change the atom at index 0 into Er in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Sb4P16O48
_chemical_formula_sum "Li4 Sb4 P16 O48"
_cell_length_a 9.35226
_cell_length_b 10.356422
_cell_length_c 12.580853009999998
_cell_angle_alpha 55.11360417
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural ErLi3Sb4P16O48
_chemical_formula_sum "Er1 Li3 Sb4 P16 O48"
_cell_length_a 9.35226
_cell_length_b 10.356422
_cell_length_c 12.580853009999998
_cell_angle_alpha 55.11360417
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
ChangeAtomAction | baa76b44-efa7-4f77-a909-696158a59ecc | mp-1520897 | Change the atom at index 8 into Ca in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr2CrBiO6
_chemical_formula_sum "Sr2 Cr1 Bi1 O6"
_cell_length_a 5.78690587
_cell_length_b 5.78690587
_cell_length_c 5.78690587
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Sr2CrBiO4CaO
_chemical_formula_sum "Sr2 Cr1 Bi1 O5 Ca1"
_cell_length_a 5.78690587
_cell_length_b 5.78690587
_cell_length_c 5.78690587
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... |
ChangeAtomAction | d248d949-0445-4d59-833e-13ab990bf1d9 | mp-755481 | Change the atom at index 1 into Lr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca2Cl4O12
_chemical_formula_sum "Ca2 Cl4 O12"
_cell_length_a 6.71155429
_cell_length_b 6.711554289999999
_cell_length_c 7.68956939
_cell_angle_alpha 58.98193461999998
_cell_angle_beta 58.98193461999998
_cell_angle_gamma 67.75361514
... | data_image0
_chemical_formula_structural CaLrCl4O12
_chemical_formula_sum "Ca1 Lr1 Cl4 O12"
_cell_length_a 6.71155429
_cell_length_b 6.711554289999999
_cell_length_c 7.68956939
_cell_angle_alpha 58.98193461999998
_cell_angle_beta 58.98193461999998
_cell_angle_gamma 67.7536... |
ChangeAtomAction | c2aec16b-6616-48f7-a497-32b7d2fdc672 | mp-781738 | Change the atom at index 15 into Ca in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na12V4B8S2O32
_chemical_formula_sum "Na12 V4 B8 S2 O32"
_cell_length_a 9.93543717
_cell_length_b 9.93543717
_cell_length_c 9.93543717
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... | data_image0
_chemical_formula_structural Na12V3CaB8S2O32
_chemical_formula_sum "Na12 V3 Ca1 B8 S2 O32"
_cell_length_a 9.93543717
_cell_length_b 9.93543717
_cell_length_c 9.93543717
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.... |
ChangeAtomAction | 8cdb6305-683b-45d2-a978-c01392104be2 | mp-2227841 | Change the atom at index 7 into Fe in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tm2MgV2O8
_chemical_formula_sum "Tm2 Mg1 V2 O8"
_cell_length_a 6.01689922
_cell_length_b 6.01689898
_cell_length_c 6.16204598
_cell_angle_alpha 106.12743468
_cell_angle_beta 106.12742743000001
_cell_angle_gamma 115.30210931
_space_... | data_image0
_chemical_formula_structural Tm2MgV2O2FeO5
_chemical_formula_sum "Tm2 Mg1 V2 O7 Fe1"
_cell_length_a 6.01689922
_cell_length_b 6.01689898
_cell_length_c 6.16204598
_cell_angle_alpha 106.12743468
_cell_angle_beta 106.12742743000001
_cell_angle_gamma 115.30210931
... |
ChangeAtomAction | 39e4f7e5-3d59-47b3-92ab-d3e6c1d6bccd | mp-1027815 | Change the atom at index 10 into Bh in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural KMg14Co
_chemical_formula_sum "K1 Mg14 Co1"
_cell_length_a 6.33349415
_cell_length_b 6.33349365
_cell_length_c 10.48663987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000266
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural KMg9BhMg4Co
_chemical_formula_sum "K1 Mg13 Bh1 Co1"
_cell_length_a 6.33349415
_cell_length_b 6.33349365
_cell_length_c 10.48663987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000266
_space_group_name_H-M_al... |
ChangeAtomAction | 948d39f1-bfcb-4a1e-bb32-48c3c17ed8ac | mp-1021697 | Change the atom at index 10 into I in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg12Ti2V2
_chemical_formula_sum "Mg12 Ti2 V2"
_cell_length_a 5.016739
_cell_length_b 6.090405
_cell_length_c 10.871319
_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... | data_image0
_chemical_formula_structural Mg10IMgTi2V2
_chemical_formula_sum "Mg11 I1 Ti2 V2"
_cell_length_a 5.016739
_cell_length_b 6.090405
_cell_length_c 10.871319
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
ChangeAtomAction | ccdcddf7-3a49-4b33-bf0c-5dc1abc43e0a | mp-1202826 | Change the atom at index 10 into Al in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Gd8U4S20
_chemical_formula_sum "Gd8 U4 S20"
_cell_length_a 7.4439669
_cell_length_b 8.00870386
_cell_length_c 11.77541072
_cell_angle_alpha 89.99970638999999
_cell_angle_beta 89.99995996999999
_cell_angle_gamma 89.99990333
_space_g... | data_image0
_chemical_formula_structural Gd8U2AlUS20
_chemical_formula_sum "Gd8 U3 Al1 S20"
_cell_length_a 7.4439669
_cell_length_b 8.00870386
_cell_length_c 11.77541072
_cell_angle_alpha 89.99970638999999
_cell_angle_beta 89.99995996999999
_cell_angle_gamma 89.99990333
_... |
ChangeAtomAction | 96c5f0ed-3e91-4911-980b-c5eaa9f38892 | mp-1041071 | Change the atom at index 1 into Lv in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg4Co8P8O32
_chemical_formula_sum "Mg4 Co8 P8 O32"
_cell_length_a 8.79836301
_cell_length_b 8.79836301
_cell_length_c 16.47690147
_cell_angle_alpha 60.88531827999999
_cell_angle_beta 60.88531827999999
_cell_angle_gamma 33.5818560400... | data_image0
_chemical_formula_structural MgLvMg2Co8P8O32
_chemical_formula_sum "Mg3 Lv1 Co8 P8 O32"
_cell_length_a 8.79836301
_cell_length_b 8.79836301
_cell_length_c 16.47690147
_cell_angle_alpha 60.88531827999999
_cell_angle_beta 60.88531827999999
_cell_angle_gamma 33.58... |
ChangeAtomAction | 56a52db8-10c1-49f5-bfbd-ce069f31dd6c | mp-1105286 | Change the atom at index 0 into I in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Eu9Pd6
_chemical_formula_sum "Eu9 Pd6"
_cell_length_a 7.82315942
_cell_length_b 7.82313956
_cell_length_c 7.823093980000001
_cell_angle_alpha 71.56246473
_cell_angle_beta 71.56151988
_cell_angle_gamma 71.56088198
_space_group_name_... | data_image0
_chemical_formula_structural IEu8Pd6
_chemical_formula_sum "I1 Eu8 Pd6"
_cell_length_a 7.82315942
_cell_length_b 7.82313956
_cell_length_c 7.823093980000001
_cell_angle_alpha 71.56246473
_cell_angle_beta 71.56151988
_cell_angle_gamma 71.56088198
_space_group_n... |
ChangeAtomAction | dace1998-660f-4153-b6d2-fa66dc30b1cb | mp-557500 | Change the atom at index 3 into Ca in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural LiNiP2S6
_chemical_formula_sum "Li1 Ni1 P2 S6"
_cell_length_a 5.89583925
_cell_length_b 5.89583925
_cell_length_c 6.96370041
_cell_angle_alpha 82.41561003
_cell_angle_beta 82.41561003
_cell_angle_gamma 120.34450382000001
_space_gro... | data_image0
_chemical_formula_structural LiNiPCaS6
_chemical_formula_sum "Li1 Ni1 P1 Ca1 S6"
_cell_length_a 5.89583925
_cell_length_b 5.89583925
_cell_length_c 6.96370041
_cell_angle_alpha 82.41561003
_cell_angle_beta 82.41561003
_cell_angle_gamma 120.34450382000001
_spac... |
ChangeAtomAction | cc390371-0aa7-45a4-bba7-0e5b5d51b7cc | mp-2230050 | Change the atom at index 6 into Nb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgFe6O6F6
_chemical_formula_sum "Mg1 Fe6 O6 F6"
_cell_length_a 5.29770932
_cell_length_b 5.34074208
_cell_length_c 8.859214550000003
_cell_angle_alpha 87.20145085000001
_cell_angle_beta 92.1387507
_cell_angle_gamma 89.35857335
_spa... | data_image0
_chemical_formula_structural MgFe5NbO6F6
_chemical_formula_sum "Mg1 Fe5 Nb1 O6 F6"
_cell_length_a 5.29770932
_cell_length_b 5.34074208
_cell_length_c 8.859214550000003
_cell_angle_alpha 87.20145085000001
_cell_angle_beta 92.1387507
_cell_angle_gamma 89.35857335... |
ChangeAtomAction | 8796b6cd-ba60-4e8f-a253-a7a9c0425a23 | mp-1034797 | Change the atom at index 7 into Ts in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural RbNaMg14O15
_chemical_formula_sum "Rb1 Na1 Mg14 O15"
_cell_length_a 4.212568
_cell_length_b 8.376669
_cell_length_c 10.410615
_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 RbNaMg5TsMg8O15
_chemical_formula_sum "Rb1 Na1 Mg13 Ts1 O15"
_cell_length_a 4.212568
_cell_length_b 8.376669
_cell_length_c 10.410615
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | ebf0978e-5418-415d-8537-d337907aeb65 | mp-1026435 | Change the atom at index 4 into Te in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg14TiMo
_chemical_formula_sum "Mg14 Ti1 Mo1"
_cell_length_a 6.29406518
_cell_length_b 6.29406468
_cell_length_c 9.97224972
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000263999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mg4TeMg9TiMo
_chemical_formula_sum "Mg13 Te1 Ti1 Mo1"
_cell_length_a 6.29406518
_cell_length_b 6.29406468
_cell_length_c 9.97224972
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000263999999
_space_group_name... |
ChangeAtomAction | ebc1854c-2b41-4271-becd-dd24d9fcf997 | mp-1276479 | Change the atom at index 20 into Fm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na2Ni10O12
_chemical_formula_sum "Na2 Ni10 O12"
_cell_length_a 5.18668659
_cell_length_b 5.186747049999999
_cell_length_c 9.91314397
_cell_angle_alpha 94.55001394
_cell_angle_beta 94.54833658
_cell_angle_gamma 119.34237754000002
_s... | data_image0
_chemical_formula_structural Na2Ni10O8FmO3
_chemical_formula_sum "Na2 Ni10 O11 Fm1"
_cell_length_a 5.18668659
_cell_length_b 5.186747049999999
_cell_length_c 9.91314397
_cell_angle_alpha 94.55001394
_cell_angle_beta 94.54833658
_cell_angle_gamma 119.34237754000... |
ChangeAtomAction | 8962fa83-143e-4712-b392-602f824f6c43 | mp-28088 | Change the atom at index 0 into P in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca10Al4Bi12
_chemical_formula_sum "Ca10 Al4 Bi12"
_cell_length_a 4.587922
_cell_length_b 7.587673
_cell_length_c 23.580293
_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 PCa9Al4Bi12
_chemical_formula_sum "P1 Ca9 Al4 Bi12"
_cell_length_a 4.587922
_cell_length_b 7.587673
_cell_length_c 23.580293
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
ChangeAtomAction | 06e121e8-7416-44e1-874a-059e96c72e00 | mp-551214 | Change the atom at index 2 into Sm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ce2Cr2S4O2
_chemical_formula_sum "Ce2 Cr2 S4 O2"
_cell_length_a 5.95918329
_cell_length_b 5.95918329
_cell_length_c 8.0268865
_cell_angle_alpha 89.79610506000002
_cell_angle_beta 89.79610506000002
_cell_angle_gamma 36.96267960999999... | data_image0
_chemical_formula_structural Ce2SmCrS4O2
_chemical_formula_sum "Ce2 Sm1 Cr1 S4 O2"
_cell_length_a 5.95918329
_cell_length_b 5.95918329
_cell_length_c 8.0268865
_cell_angle_alpha 89.79610506000002
_cell_angle_beta 89.79610506000002
_cell_angle_gamma 36.962679609... |
ChangeAtomAction | 069094bb-61d2-4979-9007-6c6256e7594b | mp-1195405 | Change the atom at index 4 into Bh in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ho4Mn4Cu16P12
_chemical_formula_sum "Ho4 Mn4 Cu16 P12"
_cell_length_a 3.771811
_cell_length_b 10.83911
_cell_length_c 12.524323
_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 Ho4BhMn3Cu16P12
_chemical_formula_sum "Ho4 Bh1 Mn3 Cu16 P12"
_cell_length_a 3.771811
_cell_length_b 10.83911
_cell_length_c 12.524323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 18dba75d-32d5-493f-abc6-1ebcdc9b0a6b | mp-1226187 | Change the atom at index 24 into Ne in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs3Rb5Se4O16
_chemical_formula_sum "Cs3 Rb5 Se4 O16"
_cell_length_a 6.422812
_cell_length_b 8.37181042
_cell_length_c 11.19787457
_cell_angle_alpha 90.03647125
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs3Rb5Se4O12NeO3
_chemical_formula_sum "Cs3 Rb5 Se4 O15 Ne1"
_cell_length_a 6.422812
_cell_length_b 8.37181042
_cell_length_c 11.19787457
_cell_angle_alpha 90.03647125
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
ChangeAtomAction | 6885f9e6-11ce-4716-912b-c6059fa56152 | mp-1173945 | 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 Li6Mn4O10
_chemical_formula_sum "Li6 Mn4 O10"
_cell_length_a 2.88677384
_cell_length_b 9.87527634
_cell_length_c 6.744225100000001
_cell_angle_alpha 103.09512629
_cell_angle_beta 77.64228958
_cell_angle_gamma 90.00187715
_space_gro... | data_image0
_chemical_formula_structural Li6Mn3BhO10
_chemical_formula_sum "Li6 Mn3 Bh1 O10"
_cell_length_a 2.88677384
_cell_length_b 9.87527634
_cell_length_c 6.744225100000001
_cell_angle_alpha 103.09512629
_cell_angle_beta 77.64228958
_cell_angle_gamma 90.00187715
_spa... |
ChangeAtomAction | 8f9cfbca-6b4c-4beb-bd56-c4d81234ecae | mp-1095566 | Change the atom at index 2 into B in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La2Co8B2
_chemical_formula_sum "La2 Co8 B2"
_cell_length_a 5.12253573
_cell_length_b 5.12253573
_cell_length_c 6.833887
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999656000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La2BCo7B2
_chemical_formula_sum "La2 B3 Co7"
_cell_length_a 5.12253573
_cell_length_b 5.12253573
_cell_length_c 6.833887
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999656000001
_space_group_name_H-M_alt ... |
ChangeAtomAction | ddd7312e-1e00-4f38-9d3a-fb7111bf2552 | mp-1208738 | Change the atom at index 17 into Sn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tb12Ni6Pb
_chemical_formula_sum "Tb12 Ni6 Pb1"
_cell_length_a 8.41719034
_cell_length_b 8.41719034
_cell_length_c 8.41719034
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_n... | data_image0
_chemical_formula_structural Tb12Ni5SnPb
_chemical_formula_sum "Tb12 Ni5 Sn1 Pb1"
_cell_length_a 8.41719034
_cell_length_b 8.41719034
_cell_length_c 8.41719034
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_g... |
ChangeAtomAction | e7f5cbec-d9b4-4027-8ffb-c4a5f52c368c | mp-760194 | Change the atom at index 24 into Si in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8V8F48
_chemical_formula_sum "Li8 V8 F48"
_cell_length_a 9.38823
_cell_length_b 9.211635
_cell_length_c 15.62011393
_cell_angle_alpha 54.25570067999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li8V8F8SiF39
_chemical_formula_sum "Li8 V8 F47 Si1"
_cell_length_a 9.38823
_cell_length_b 9.211635
_cell_length_c 15.62011393
_cell_angle_alpha 54.25570067999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
ChangeAtomAction | c9942f81-6f20-4e27-b71f-433f06b5e69a | mp-776000 | Change the atom at index 35 into Cl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti3Mn2SbP6O24
_chemical_formula_sum "Ti3 Mn2 Sb1 P6 O24"
_cell_length_a 8.7677868
_cell_length_b 8.7677868
_cell_length_c 8.76778687
_cell_angle_alpha 60.14399787999999
_cell_angle_beta 60.14399787999999
_cell_angle_gamma 60.1440039... | data_image0
_chemical_formula_structural Ti3Mn2SbP6O23Cl
_chemical_formula_sum "Ti3 Mn2 Sb1 P6 O23 Cl1"
_cell_length_a 8.7677868
_cell_length_b 8.7677868
_cell_length_c 8.76778687
_cell_angle_alpha 60.14399787999999
_cell_angle_beta 60.14399787999999
_cell_angle_gamma 60.1... |
ChangeAtomAction | f28527ca-de34-489b-8e7e-a70919ae6176 | mp-556656 | Change the atom at index 12 into Ra in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn12B28Cl4O52
_chemical_formula_sum "Mn12 B28 Cl4 O52"
_cell_length_a 8.77641
_cell_length_b 8.778342
_cell_length_c 12.431005
_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 Mn12RaB27Cl4O52
_chemical_formula_sum "Mn12 Ra1 B27 Cl4 O52"
_cell_length_a 8.77641
_cell_length_b 8.778342
_cell_length_c 12.431005
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
ChangeAtomAction | cde3e25d-0d81-44f7-936d-4e1d063585f0 | mp-673174 | Change the atom at index 18 into Sc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe24N9
_chemical_formula_sum "Fe24 N9"
_cell_length_a 9.18370994
_cell_length_b 9.18370994
_cell_length_c 4.68417068
_cell_angle_alpha 89.98556771000001
_cell_angle_beta 89.98556771000001
_cell_angle_gamma 124.06654597999999
_space... | data_image0
_chemical_formula_structural Fe18ScFe5N9
_chemical_formula_sum "Fe23 Sc1 N9"
_cell_length_a 9.18370994
_cell_length_b 9.18370994
_cell_length_c 4.68417068
_cell_angle_alpha 89.98556771000001
_cell_angle_beta 89.98556771000001
_cell_angle_gamma 124.0665459799999... |
ChangeAtomAction | c09bce59-f7ef-4e2b-90ae-59b16e66ccc5 | mp-640383 | Change the atom at index 25 into As in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ho20Ni4Sb8
_chemical_formula_sum "Ho20 Ni4 Sb8"
_cell_length_a 7.90777468
_cell_length_b 8.69236289
_cell_length_c 12.08376576
_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 Ho20Ni4SbAsSb6
_chemical_formula_sum "Ho20 Ni4 Sb7 As1"
_cell_length_a 7.90777468
_cell_length_b 8.69236289
_cell_length_c 12.08376576
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 4732e062-f835-4606-aabc-b38b97e6bdb8 | mp-1224597 | Change the atom at index 54 into Ca in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K8Nb8As8O44
_chemical_formula_sum "K8 Nb8 As8 O44"
_cell_length_a 10.52112835
_cell_length_b 10.01505432
_cell_length_c 10.36661248
_cell_angle_alpha 83.00976495
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural K8Nb8As8O30CaO13
_chemical_formula_sum "K8 Nb8 As8 O43 Ca1"
_cell_length_a 10.52112835
_cell_length_b 10.01505432
_cell_length_c 10.36661248
_cell_angle_alpha 83.00976495
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
ChangeAtomAction | 02c49856-99fe-4c18-9a58-87f9bf1a66f3 | mp-557081 | Change the atom at index 21 into Nd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba14Cr14O42
_chemical_formula_sum "Ba14 Cr14 O42"
_cell_length_a 5.74069414
_cell_length_b 5.74069414
_cell_length_c 32.846124
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000016
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba14Cr7NdCr6O42
_chemical_formula_sum "Ba14 Cr13 Nd1 O42"
_cell_length_a 5.74069414
_cell_length_b 5.74069414
_cell_length_c 32.846124
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000016
_space_group_name_H-M... |
ChangeAtomAction | e2a16927-5e02-4fd4-add9-07840c61c9ad | mp-1202797 | Change the atom at index 30 into F in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ag4H24C6S6Br4N12
_chemical_formula_sum "Ag4 H24 C6 S6 Br4 N12"
_cell_length_a 4.442491
_cell_length_b 8.407144
_cell_length_c 22.01302039
_cell_angle_alpha 90.0
_cell_angle_beta 101.07856111
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Ag4H24C2FC3S6Br4N12
_chemical_formula_sum "Ag4 H24 C5 F1 S6 Br4 N12"
_cell_length_a 4.442491
_cell_length_b 8.407144
_cell_length_c 22.01302039
_cell_angle_alpha 90.0
_cell_angle_beta 101.07856111
_cell_angle_gamma 90.0
_space_grou... |
ChangeAtomAction | 77d54249-c03b-4d99-b389-73ca06923ed8 | mp-4721 | Change the atom at index 30 into Mo in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb4Sb12Se20
_chemical_formula_sum "Rb4 Sb12 Se20"
_cell_length_a 8.80451087
_cell_length_b 9.69550567
_cell_length_c 13.15641808
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.79824545
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Rb4Sb12Se14MoSe5
_chemical_formula_sum "Rb4 Sb12 Se19 Mo1"
_cell_length_a 8.80451087
_cell_length_b 9.69550567
_cell_length_c 13.15641808
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.79824545
_space_group_name_... |
ChangeAtomAction | 04a1e2f2-9478-4751-accb-c31f446a72bb | mp-1369271 | Change the atom at index 11 into H in the cif file. The indices of atoms are started from 0. | 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 Ti2Zn4Sb2O3HO8
_chemical_formula_sum "Ti2 Zn4 Sb2 O11 H1"
_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... |
ChangeAtomAction | 5c7a1ff6-c65a-4b4d-a3be-ac4128e67c2e | mp-613677 | Change the atom at index 6 into Nd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Gd4Mn4Ge4
_chemical_formula_sum "Gd4 Mn4 Ge4"
_cell_length_a 3.883324
_cell_length_b 7.035758
_cell_length_c 8.062189
_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 Gd4Mn2NdMnGe4
_chemical_formula_sum "Gd4 Mn3 Nd1 Ge4"
_cell_length_a 3.883324
_cell_length_b 7.035758
_cell_length_c 8.062189
_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 | 83586c4c-3f25-4a73-a984-1866742b73b5 | mp-755893 | Change the atom at index 16 into Xe in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4Bi4O12
_chemical_formula_sum "Ca4 Bi4 O12"
_cell_length_a 5.75831054
_cell_length_b 6.02554523
_cell_length_c 8.33034702
_cell_angle_alpha 90.0
_cell_angle_beta 90.10598141
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ca4Bi4O8XeO3
_chemical_formula_sum "Ca4 Bi4 O11 Xe1"
_cell_length_a 5.75831054
_cell_length_b 6.02554523
_cell_length_c 8.33034702
_cell_angle_alpha 90.0
_cell_angle_beta 90.10598141
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
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