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 |
|---|---|---|---|---|---|
MoveAtomAction | 4c69e38e-f2aa-4976-93ae-f11b88e75e79 | mp-1522961 | Move the atom at index 9 by [-2.306 -2.681 -0.504] angstrom in the cif file. | data_image0
_chemical_formula_structural NaSrNbSbO6
_chemical_formula_sum "Na1 Sr1 Nb1 Sb1 O6"
_cell_length_a 5.82188153
_cell_length_b 5.82188153
_cell_length_c 5.82188153
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.00000000... | data_image0
_chemical_formula_structural NaSrNbSbO6
_chemical_formula_sum "Na1 Sr1 Nb1 Sb1 O6"
_cell_length_a 5.82188153
_cell_length_b 5.82188153
_cell_length_c 5.82188153
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.00000000... |
MoveAtomAction | c9966c69-cd9f-45de-8500-e61458a120c0 | mp-1181899 | Move the atom at index 13 by [-2.572 1.021 1.074] angstrom in the cif file. | data_image0
_chemical_formula_structural Cd2Br4O8
_chemical_formula_sum "Cd2 Br4 O8"
_cell_length_a 9.518223
_cell_length_b 3.703541
_cell_length_c 7.59514437
_cell_angle_alpha 63.57413614
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Cd2Br4O8
_chemical_formula_sum "Cd2 Br4 O8"
_cell_length_a 9.518223
_cell_length_b 3.703541
_cell_length_c 7.59514437
_cell_angle_alpha 63.57413614
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveAtomAction | 76b5d68c-ff17-461b-9690-055276c2eddd | mp-1214420 | Move the atom at index 1 by [ 2.727 -0.16 1.811] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Hf2F12
_chemical_formula_sum "Ba2 Hf2 F12"
_cell_length_a 6.86460262
_cell_length_b 6.864602619999999
_cell_length_c 5.46341565
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.32893431999999
_space_group_name_... | data_image0
_chemical_formula_structural Ba2Hf2F12
_chemical_formula_sum "Ba2 Hf2 F12"
_cell_length_a 6.86460262
_cell_length_b 6.864602619999999
_cell_length_c 5.46341565
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.32893431999999
_space_group_name_... |
MoveAtomAction | 2b26322a-2343-4ad8-b4a5-a432bb29679f | mp-30650 | Move the atom at index 12 by [-0.055 -2.237 -0.057] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg12Ga6
_chemical_formula_sum "Mg12 Ga6"
_cell_length_a 7.64864885
_cell_length_b 7.64864804
_cell_length_c 6.98307274
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00003825999998
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Mg12Ga6
_chemical_formula_sum "Mg12 Ga6"
_cell_length_a 7.64864885
_cell_length_b 7.64864804
_cell_length_c 6.98307274
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00003825999998
_space_group_name_H-M_alt "... |
MoveAtomAction | 7cbd52bc-886d-4841-bb0f-bdf51ecf7e94 | mp-1173764 | Move the atom at index 24 by [-2.44 -0.327 -1.436] angstrom in the cif file. | data_image0
_chemical_formula_structural Na5Ce3Ti6Nb2O24
_chemical_formula_sum "Na5 Ce3 Ti6 Nb2 O24"
_cell_length_a 5.53853843
_cell_length_b 5.51219945
_cell_length_c 15.52114946
_cell_angle_alpha 89.94664857
_cell_angle_beta 90.00032967
_cell_angle_gamma 90.0447047100000... | data_image0
_chemical_formula_structural Na5Ce3Ti6Nb2O24
_chemical_formula_sum "Na5 Ce3 Ti6 Nb2 O24"
_cell_length_a 5.53853843
_cell_length_b 5.51219945
_cell_length_c 15.52114946
_cell_angle_alpha 89.94664857
_cell_angle_beta 90.00032967
_cell_angle_gamma 90.0447047100000... |
MoveAtomAction | ba77d348-a659-4cd8-b872-02dd1f7b05de | mp-773104 | Move the atom at index 27 by [ 1.85 2.854 -1.963] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr24Fe16O55
_chemical_formula_sum "Sr24 Fe16 O55"
_cell_length_a 11.92926253
_cell_length_b 11.92926253
_cell_length_c 11.06873282
_cell_angle_alpha 76.58739133
_cell_angle_beta 76.58739133
_cell_angle_gamma 117.50833022000002
_spa... | data_image0
_chemical_formula_structural Sr24Fe16O55
_chemical_formula_sum "Sr24 Fe16 O55"
_cell_length_a 11.92926253
_cell_length_b 11.92926253
_cell_length_c 11.06873282
_cell_angle_alpha 76.58739133
_cell_angle_beta 76.58739133
_cell_angle_gamma 117.50833022000002
_spa... |
MoveAtomAction | 622dbfd3-45cc-4b23-9ac7-f7df08e8a824 | mp-1193261 | Move the atom at index 7 by [ 3.371 1.827 -1.652] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs4H4C4N8O8
_chemical_formula_sum "Cs4 H4 C4 N8 O8"
_cell_length_a 4.875682
_cell_length_b 13.717342
_cell_length_c 7.961561659999999
_cell_angle_alpha 90.0
_cell_angle_beta 97.09784046
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Cs4H4C4N8O8
_chemical_formula_sum "Cs4 H4 C4 N8 O8"
_cell_length_a 4.875682
_cell_length_b 13.717342
_cell_length_c 7.961561659999999
_cell_angle_alpha 90.0
_cell_angle_beta 97.09784046
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveAtomAction | c32aee5f-5a5b-4c9b-b0c4-4227a9557b34 | mp-761166 | Move the atom at index 0 by [1.667 0.804 0.244] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Fe2F6
_chemical_formula_sum "Li2 Fe2 F6"
_cell_length_a 5.26450736
_cell_length_b 5.26450736
_cell_length_c 5.58662632
_cell_angle_alpha 62.53720544
_cell_angle_beta 62.53720544
_cell_angle_gamma 59.64166649999999
_space_group_n... | data_image0
_chemical_formula_structural Li2Fe2F6
_chemical_formula_sum "Li2 Fe2 F6"
_cell_length_a 5.26450736
_cell_length_b 5.26450736
_cell_length_c 5.58662632
_cell_angle_alpha 62.53720544
_cell_angle_beta 62.53720544
_cell_angle_gamma 59.64166649999999
_space_group_n... |
MoveAtomAction | 4c35ec9b-737e-4247-843e-fd92a3ba26b1 | mp-690575 | Move the atom at index 13 by [-2.341 -0.681 -2.283] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb4Ni2O12
_chemical_formula_sum "Nb4 Ni2 O12"
_cell_length_a 5.64998711
_cell_length_b 5.64998711
_cell_length_c 6.7760536899999995
_cell_angle_alpha 88.35719593
_cell_angle_beta 88.35719593
_cell_angle_gamma 71.38183627
_space_gro... | data_image0
_chemical_formula_structural Nb4Ni2O12
_chemical_formula_sum "Nb4 Ni2 O12"
_cell_length_a 5.64998711
_cell_length_b 5.64998711
_cell_length_c 6.7760536899999995
_cell_angle_alpha 88.35719593
_cell_angle_beta 88.35719593
_cell_angle_gamma 71.38183627
_space_gro... |
MoveAtomAction | c683ae6f-bbe9-4169-ab24-0f1cb9ef549f | mp-1272968 | Move the atom at index 8 by [ 1.613 -1.135 3.418] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2V4O8
_chemical_formula_sum "Na2 V4 O8"
_cell_length_a 5.19210069
_cell_length_b 5.94416701
_cell_length_c 6.629173150000001
_cell_angle_alpha 116.63727697
_cell_angle_beta 103.43049897
_cell_angle_gamma 89.99560242
_space_group_... | data_image0
_chemical_formula_structural Na2V4O8
_chemical_formula_sum "Na2 V4 O8"
_cell_length_a 5.19210069
_cell_length_b 5.94416701
_cell_length_c 6.629173150000001
_cell_angle_alpha 116.63727697
_cell_angle_beta 103.43049897
_cell_angle_gamma 89.99560242
_space_group_... |
MoveAtomAction | 84a635ee-7c71-4f70-be36-106c3c46abc7 | mp-1199536 | Move the atom at index 7 by [-0.73 0.364 2.874] angstrom in the cif file. | data_image0
_chemical_formula_structural Sn4Mo4H24C8O16
_chemical_formula_sum "Sn4 Mo4 H24 C8 O16"
_cell_length_a 7.380515
_cell_length_b 7.443991
_cell_length_c 13.73188
_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 Sn4Mo4H24C8O16
_chemical_formula_sum "Sn4 Mo4 H24 C8 O16"
_cell_length_a 7.380515
_cell_length_b 7.443991
_cell_length_c 13.73188
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveAtomAction | f5e3fc8a-5f3a-4868-b4cf-4fc1e1effb64 | mp-558119 | Move the atom at index 16 by [1.749 0.841 1.043] angstrom in the cif file. | data_image0
_chemical_formula_structural Lu16Mo16O44
_chemical_formula_sum "Lu16 Mo16 O44"
_cell_length_a 5.668748
_cell_length_b 10.6688185
_cell_length_c 15.86257151
_cell_angle_alpha 90.49133601
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Lu16Mo16O44
_chemical_formula_sum "Lu16 Mo16 O44"
_cell_length_a 5.668748
_cell_length_b 10.6688185
_cell_length_c 15.86257151
_cell_angle_alpha 90.49133601
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAtomAction | 17580cc7-ad4d-4e85-8272-d813ae2329d8 | mp-758218 | Move the atom at index 19 by [-0.563 -2.5 -3.285] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Ti4P8O28
_chemical_formula_sum "Li4 Ti4 P8 O28"
_cell_length_a 5.179646
_cell_length_b 8.678552
_cell_length_c 13.48411447
_cell_angle_alpha 62.84568576
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li4Ti4P8O28
_chemical_formula_sum "Li4 Ti4 P8 O28"
_cell_length_a 5.179646
_cell_length_b 8.678552
_cell_length_c 13.48411447
_cell_angle_alpha 62.84568576
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveAtomAction | ac80713b-fe69-4dbb-942d-25818655292a | mp-557992 | Move the atom at index 12 by [ 0.201 -1.702 1.846] angstrom in the cif file. | data_image0
_chemical_formula_structural In4Te4Cl4O12
_chemical_formula_sum "In4 Te4 Cl4 O12"
_cell_length_a 7.031733
_cell_length_b 7.196003
_cell_length_c 8.64328525
_cell_angle_alpha 77.23700394
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural In4Te4Cl4O12
_chemical_formula_sum "In4 Te4 Cl4 O12"
_cell_length_a 7.031733
_cell_length_b 7.196003
_cell_length_c 8.64328525
_cell_angle_alpha 77.23700394
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAtomAction | 7928f8f5-4b38-4c7b-884b-123643796eb6 | mp-20817 | Move the atom at index 7 by [-2.285 -1.515 -0.049] angstrom in the cif file. | data_image0
_chemical_formula_structural Ge4Pt4Se4
_chemical_formula_sum "Ge4 Pt4 Se4"
_cell_length_a 6.02894882
_cell_length_b 6.05269499
_cell_length_c 6.11051989
_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 Ge4Pt4Se4
_chemical_formula_sum "Ge4 Pt4 Se4"
_cell_length_a 6.02894882
_cell_length_b 6.05269499
_cell_length_c 6.11051989
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveAtomAction | 401bafa6-8f52-4481-82ad-81699e1708ab | mp-1027923 | Move the atom at index 9 by [ 2.856 -1.831 -2.276] angstrom in the cif file. | data_image0
_chemical_formula_structural SrMg14Zr
_chemical_formula_sum "Sr1 Mg14 Zr1"
_cell_length_a 6.57608356
_cell_length_b 6.61396989
_cell_length_c 10.42359233
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.19076941
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural SrMg14Zr
_chemical_formula_sum "Sr1 Mg14 Zr1"
_cell_length_a 6.57608356
_cell_length_b 6.61396989
_cell_length_c 10.42359233
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.19076941
_space_group_name_H-M_alt "... |
MoveAtomAction | 46d0fa25-e2dc-410a-b87e-113277a5f51f | mp-669334 | Move the atom at index 12 by [-1.962 0.778 -0.164] angstrom in the cif file. | data_image0
_chemical_formula_structural Cd15I30
_chemical_formula_sum "Cd15 I30"
_cell_length_a 4.34447773
_cell_length_b 4.34447773
_cell_length_c 110.424958
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999586
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Cd15I30
_chemical_formula_sum "Cd15 I30"
_cell_length_a 4.34447773
_cell_length_b 4.34447773
_cell_length_c 110.424958
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999586
_space_group_name_H-M_alt "P 1"
_... |
MoveAtomAction | c1614423-8ea3-4a44-84ea-f7c9cc036f55 | mp-560545 | Move the atom at index 6 by [0.634 1.664 2.395] angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Ca2As8O24
_chemical_formula_sum "Na4 Ca2 As8 O24"
_cell_length_a 10.131248
_cell_length_b 10.131248
_cell_length_c 5.239611
_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 Na4Ca2As8O24
_chemical_formula_sum "Na4 Ca2 As8 O24"
_cell_length_a 10.131248
_cell_length_b 10.131248
_cell_length_c 5.239611
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveAtomAction | 5df573de-9e16-4518-b37a-a0604e52cd8e | mp-20083 | Move the atom at index 4 by [ 3.044 -4.308 1.487] angstrom in the cif file. | data_image0
_chemical_formula_structural Sc4Cu4Si4
_chemical_formula_sum "Sc4 Cu4 Si4"
_cell_length_a 3.94833885
_cell_length_b 6.53023046
_cell_length_c 7.16051603
_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 Sc4Cu4Si4
_chemical_formula_sum "Sc4 Cu4 Si4"
_cell_length_a 3.94833885
_cell_length_b 6.53023046
_cell_length_c 7.16051603
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveAtomAction | 9cd0b97f-16e7-46f5-90e2-32180208d236 | mp-20250 | Move the atom at index 1 by [-0.199 1.508 2.403] angstrom in the cif file. | data_image0
_chemical_formula_structural Pd8S8
_chemical_formula_sum "Pd8 S8"
_cell_length_a 6.47221786
_cell_length_b 6.47221786
_cell_length_c 6.6355318
_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_I... | data_image0
_chemical_formula_structural Pd8S8
_chemical_formula_sum "Pd8 S8"
_cell_length_a 6.47221786
_cell_length_b 6.47221786
_cell_length_c 6.6355318
_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_I... |
MoveAtomAction | d69290f5-cc6c-400d-85cb-1b976c3cb2ea | mp-13211 | Move the atom at index 5 by [-0.355 1.152 0.232] angstrom in the cif file. | 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 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... |
MoveAtomAction | 79c1dfe3-aebe-466e-b1a3-235362015aa4 | mp-10244 | Move the atom at index 7 by [ 1.468 -2.794 1.17 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr3Cu4Si4
_chemical_formula_sum "Zr3 Cu4 Si4"
_cell_length_a 3.92810485
_cell_length_b 6.36160577
_cell_length_c 7.52624214
_cell_angle_alpha 115.00265899
_cell_angle_beta 105.09630502
_cell_angle_gamma 90.00160276
_space_group_nam... | data_image0
_chemical_formula_structural Zr3Cu4Si4
_chemical_formula_sum "Zr3 Cu4 Si4"
_cell_length_a 3.92810485
_cell_length_b 6.36160577
_cell_length_c 7.52624214
_cell_angle_alpha 115.00265899
_cell_angle_beta 105.09630502
_cell_angle_gamma 90.00160276
_space_group_nam... |
MoveAtomAction | fb674e32-3dcf-4fe7-bc38-67c8f3f91a7c | mp-758795 | Move the atom at index 48 by [ 0.442 -4.374 2.168] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Fe8Si12O36
_chemical_formula_sum "Li8 Fe8 Si12 O36"
_cell_length_a 7.32447
_cell_length_b 10.657702
_cell_length_c 12.39328977
_cell_angle_alpha 68.47111259
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li8Fe8Si12O36
_chemical_formula_sum "Li8 Fe8 Si12 O36"
_cell_length_a 7.32447
_cell_length_b 10.657702
_cell_length_c 12.39328977
_cell_angle_alpha 68.47111259
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAtomAction | 2f383e07-a095-4bc8-adf8-8259754ef684 | mp-762374 | Move the atom at index 12 by [1.609 0.737 2.988] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4La3Nb12O36
_chemical_formula_sum "Li4 La3 Nb12 O36"
_cell_length_a 9.80564201
_cell_length_b 9.80564201
_cell_length_c 11.309894320000001
_cell_angle_alpha 72.8782134
_cell_angle_beta 72.8782134
_cell_angle_gamma 47.9613330499999... | data_image0
_chemical_formula_structural Li4La3Nb12O36
_chemical_formula_sum "Li4 La3 Nb12 O36"
_cell_length_a 9.80564201
_cell_length_b 9.80564201
_cell_length_c 11.309894320000001
_cell_angle_alpha 72.8782134
_cell_angle_beta 72.8782134
_cell_angle_gamma 47.9613330499999... |
MoveAtomAction | d31b1dbd-e8f8-4c72-92f0-4aa5d1bdb6fc | mp-1190647 | Move the atom at index 7 by [-1.461 -0.272 1.045] angstrom in the cif file. | data_image0
_chemical_formula_structural Ge6F16
_chemical_formula_sum "Ge6 F16"
_cell_length_a 4.95938389
_cell_length_b 5.07969646
_cell_length_c 11.6762519
_cell_angle_alpha 90.0
_cell_angle_beta 90.8456569
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Ge6F16
_chemical_formula_sum "Ge6 F16"
_cell_length_a 4.95938389
_cell_length_b 5.07969646
_cell_length_c 11.6762519
_cell_angle_alpha 90.0
_cell_angle_beta 90.8456569
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
MoveAtomAction | 4287b938-6bc0-42c6-a77f-c524f22dc742 | mp-1201547 | Move the atom at index 19 by [-0.024 0.712 1.642] angstrom in the cif file. | data_image0
_chemical_formula_structural Ho16B4Cl4O28
_chemical_formula_sum "Ho16 B4 Cl4 O28"
_cell_length_a 8.036807
_cell_length_b 8.596474
_cell_length_c 12.24668418
_cell_angle_alpha 59.98757995999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ho16B4Cl4O28
_chemical_formula_sum "Ho16 B4 Cl4 O28"
_cell_length_a 8.036807
_cell_length_b 8.596474
_cell_length_c 12.24668418
_cell_angle_alpha 59.98757995999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveAtomAction | 44047cf4-bdd2-458d-9d2d-db3404c1a2d0 | mp-541574 | Move the atom at index 4 by [-0.661 0.117 -0.623] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Y8Co4O20
_chemical_formula_sum "Ba4 Y8 Co4 O20"
_cell_length_a 5.770025
_cell_length_b 7.158529
_cell_length_c 12.39054
_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 Ba4Y8Co4O20
_chemical_formula_sum "Ba4 Y8 Co4 O20"
_cell_length_a 5.770025
_cell_length_b 7.158529
_cell_length_c 12.39054
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
MoveAtomAction | 1ee3a859-aace-41da-9220-d54d15ba5520 | mp-780652 | Move the atom at index 47 by [ 2.116 -3.527 0.363] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8V6P16O58
_chemical_formula_sum "Li8 V6 P16 O58"
_cell_length_a 9.759701
_cell_length_b 9.77116265
_cell_length_c 14.158486300000002
_cell_angle_alpha 90.21434484
_cell_angle_beta 90.02953718999999
_cell_angle_gamma 119.8580864799... | data_image0
_chemical_formula_structural Li8V6P16O58
_chemical_formula_sum "Li8 V6 P16 O58"
_cell_length_a 9.759701
_cell_length_b 9.77116265
_cell_length_c 14.158486300000002
_cell_angle_alpha 90.21434484
_cell_angle_beta 90.02953718999999
_cell_angle_gamma 119.8580864799... |
MoveAtomAction | ac1ef703-411c-4b18-b4d6-f018b5401e24 | mp-1209287 | Move the atom at index 46 by [-0.774 0.432 2.496] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb8Sb8Cl8F24
_chemical_formula_sum "Rb8 Sb8 Cl8 F24"
_cell_length_a 8.238391
_cell_length_b 8.530666
_cell_length_c 15.415517
_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 Rb8Sb8Cl8F24
_chemical_formula_sum "Rb8 Sb8 Cl8 F24"
_cell_length_a 8.238391
_cell_length_b 8.530666
_cell_length_c 15.415517
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
MoveAtomAction | fad72a48-2220-4b7e-b21c-4e7a45da8dbe | mp-9619 | Move the atom at index 5 by [ 1.572 0.608 -2.77 ] angstrom in the cif file. | 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 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... |
MoveAtomAction | 3df392d5-4802-4971-bedf-53adbe0ccbd6 | mp-1120783 | Move the atom at index 23 by [-1.745 -0.159 0.93 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Al30C30
_chemical_formula_sum "Al30 C30"
_cell_length_a 29.969771
_cell_length_b 8.06643
_cell_length_c 8.10666236
_cell_angle_alpha 89.63626339999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Al30C30
_chemical_formula_sum "Al30 C30"
_cell_length_a 29.969771
_cell_length_b 8.06643
_cell_length_c 8.10666236
_cell_angle_alpha 89.63626339999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveAtomAction | eaa73bfa-b05c-41bf-adf2-700e4005640c | mp-1212973 | Move the atom at index 0 by [-1.142 -3.258 2.658] angstrom in the cif file. | data_image0
_chemical_formula_structural Eu3Ti2O7
_chemical_formula_sum "Eu3 Ti2 O7"
_cell_length_a 10.51063287
_cell_length_b 10.510632869999998
_cell_length_c 10.51063287
_cell_angle_alpha 158.47110958
_cell_angle_beta 158.47110958
_cell_angle_gamma 30.631133560000006
_... | data_image0
_chemical_formula_structural Eu3Ti2O7
_chemical_formula_sum "Eu3 Ti2 O7"
_cell_length_a 10.51063287
_cell_length_b 10.510632869999998
_cell_length_c 10.51063287
_cell_angle_alpha 158.47110958
_cell_angle_beta 158.47110958
_cell_angle_gamma 30.631133560000006
_... |
MoveAtomAction | e5edb396-2d97-43a6-9c6f-1d663c1ade5f | mp-699431 | Move the atom at index 5 by [-1.574 -0.621 0.871] angstrom in the cif file. | data_image0
_chemical_formula_structural Al2H8Se4O16
_chemical_formula_sum "Al2 H8 Se4 O16"
_cell_length_a 6.640272
_cell_length_b 7.408615
_cell_length_c 8.922044719999999
_cell_angle_alpha 54.03288984999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Al2H8Se4O16
_chemical_formula_sum "Al2 H8 Se4 O16"
_cell_length_a 6.640272
_cell_length_b 7.408615
_cell_length_c 8.922044719999999
_cell_angle_alpha 54.03288984999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
MoveAtomAction | ea1b1b2b-76cb-42ab-b71b-43234a86e909 | mp-758323 | Move the atom at index 29 by [-1.856 1.72 1.771] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Ti3CoP6O24
_chemical_formula_sum "Li2 Ti3 Co1 P6 O24"
_cell_length_a 8.64736777
_cell_length_b 8.64736777
_cell_length_c 8.6473677
_cell_angle_alpha 59.35002677
_cell_angle_beta 59.35002677
_cell_angle_gamma 59.35002351
_space_g... | data_image0
_chemical_formula_structural Li2Ti3CoP6O24
_chemical_formula_sum "Li2 Ti3 Co1 P6 O24"
_cell_length_a 8.64736777
_cell_length_b 8.64736777
_cell_length_c 8.6473677
_cell_angle_alpha 59.35002677
_cell_angle_beta 59.35002677
_cell_angle_gamma 59.35002351
_space_g... |
MoveAtomAction | 09f897c3-01ef-4cd5-92fd-4925dfd55215 | mp-1213028 | Move the atom at index 8 by [ 0.121 -0.397 -0.478] angstrom in the cif file. | data_image0
_chemical_formula_structural ErMn6Sn4Ge2
_chemical_formula_sum "Er1 Mn6 Sn4 Ge2"
_cell_length_a 5.3464204
_cell_length_b 5.3464204
_cell_length_c 8.664624
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000494
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural ErMn6Sn4Ge2
_chemical_formula_sum "Er1 Mn6 Sn4 Ge2"
_cell_length_a 5.3464204
_cell_length_b 5.3464204
_cell_length_c 8.664624
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000494
_space_group_name_H-M_alt ... |
MoveAtomAction | 11838de5-363f-404e-a636-083ebcac560a | mp-707519 | Move the atom at index 56 by [-1.038 -1.078 2.147] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg16Si8HO32
_chemical_formula_sum "Mg16 Si8 H1 O32"
_cell_length_a 6.102962
_cell_length_b 9.63574753
_cell_length_c 10.39727497
_cell_angle_alpha 90.16461189
_cell_angle_beta 90.64687078
_cell_angle_gamma 90.73067906
_space_group_... | data_image0
_chemical_formula_structural Mg16Si8HO32
_chemical_formula_sum "Mg16 Si8 H1 O32"
_cell_length_a 6.102962
_cell_length_b 9.63574753
_cell_length_c 10.39727497
_cell_angle_alpha 90.16461189
_cell_angle_beta 90.64687078
_cell_angle_gamma 90.73067906
_space_group_... |
MoveAtomAction | 0f62b1e5-7bc0-4fa9-b7eb-4847487020c5 | mp-1043069 | Move the atom at index 11 by [ 0.295 -1.471 0.109] angstrom in the cif file. | data_image0
_chemical_formula_structural ZnCr4Cu3O12
_chemical_formula_sum "Zn1 Cr4 Cu3 O12"
_cell_length_a 6.35183077
_cell_length_b 6.365661799999999
_cell_length_c 6.36522988
_cell_angle_alpha 70.48853784
_cell_angle_beta 70.56204123999999
_cell_angle_gamma 109.42098417... | data_image0
_chemical_formula_structural ZnCr4Cu3O12
_chemical_formula_sum "Zn1 Cr4 Cu3 O12"
_cell_length_a 6.35183077
_cell_length_b 6.365661799999999
_cell_length_c 6.36522988
_cell_angle_alpha 70.48853784
_cell_angle_beta 70.56204123999999
_cell_angle_gamma 109.42098417... |
MoveAtomAction | 89f219ef-cac3-4ffd-93d4-bcd03363c344 | mp-1188929 | Move the atom at index 11 by [ 1.859 1.075 -5.421] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti2Nb6S12
_chemical_formula_sum "Ti2 Nb6 S12"
_cell_length_a 5.81280398
_cell_length_b 5.81266
_cell_length_c 12.53619922
_cell_angle_alpha 89.99977779999999
_cell_angle_beta 89.99973722999998
_cell_angle_gamma 119.98633039
_space_... | data_image0
_chemical_formula_structural Ti2Nb6S12
_chemical_formula_sum "Ti2 Nb6 S12"
_cell_length_a 5.81280398
_cell_length_b 5.81266
_cell_length_c 12.53619922
_cell_angle_alpha 89.99977779999999
_cell_angle_beta 89.99973722999998
_cell_angle_gamma 119.98633039
_space_... |
MoveAtomAction | 2924f425-6575-439f-bf13-6992ee6eec20 | mp-29591 | Move the atom at index 10 by [ 4.997 -1.816 2.2 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Sb6Cl2O8
_chemical_formula_sum "Sb6 Cl2 O8"
_cell_length_a 5.32733935
_cell_length_b 5.62084491
_cell_length_c 9.74475617
_cell_angle_alpha 94.99436294000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sb6Cl2O8
_chemical_formula_sum "Sb6 Cl2 O8"
_cell_length_a 5.32733935
_cell_length_b 5.62084491
_cell_length_c 9.74475617
_cell_angle_alpha 94.99436294000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAtomAction | af829fdd-b61c-4b20-bfb8-81df467f2337 | mp-1223532 | Move the atom at index 6 by [ 1.789 0.923 -1.693] angstrom in the cif file. | data_image0
_chemical_formula_structural K2La2C2O8
_chemical_formula_sum "K2 La2 C2 O8"
_cell_length_a 3.686097
_cell_length_b 4.760619
_cell_length_c 12.196384
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural K2La2C2O8
_chemical_formula_sum "K2 La2 C2 O8"
_cell_length_a 3.686097
_cell_length_b 4.760619
_cell_length_c 12.196384
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... |
MoveAtomAction | b903e744-7e15-4ed1-a95c-11d1144dd1ce | mp-764512 | Move the atom at index 40 by [ 4.903 -2.406 -1.566] angstrom in the cif file. | data_image0
_chemical_formula_structural Li5Fe8B8O24
_chemical_formula_sum "Li5 Fe8 B8 O24"
_cell_length_a 5.271667
_cell_length_b 9.04378802
_cell_length_c 11.420092480000001
_cell_angle_alpha 113.07253968
_cell_angle_beta 102.26797147
_cell_angle_gamma 89.8232808
_space... | data_image0
_chemical_formula_structural Li5Fe8B8O24
_chemical_formula_sum "Li5 Fe8 B8 O24"
_cell_length_a 5.271667
_cell_length_b 9.04378802
_cell_length_c 11.420092480000001
_cell_angle_alpha 113.07253968
_cell_angle_beta 102.26797147
_cell_angle_gamma 89.8232808
_space... |
MoveAtomAction | 739375a3-91f5-4125-927f-a98367c5bf56 | mp-556425 | Move the atom at index 12 by [-0.665 1.433 3.674] angstrom in the cif file. | data_image0
_chemical_formula_structural Sb16F64
_chemical_formula_sum "Sb16 F64"
_cell_length_a 11.93503364
_cell_length_b 9.27435759
_cell_length_c 11.57642252
_cell_angle_alpha 72.80936813
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Sb16F64
_chemical_formula_sum "Sb16 F64"
_cell_length_a 11.93503364
_cell_length_b 9.27435759
_cell_length_c 11.57642252
_cell_angle_alpha 72.80936813
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveAtomAction | 3fe0340f-14d0-4a73-b3dd-6f6cb0028be8 | mp-1376805 | Move the atom at index 0 by [-0.487 -1.921 -0.902] angstrom in the cif file. | data_image0
_chemical_formula_structural Li3Fe5OF11
_chemical_formula_sum "Li3 Fe5 O1 F11"
_cell_length_a 5.256081
_cell_length_b 5.68770732
_cell_length_c 9.29113358
_cell_angle_alpha 107.28857676
_cell_angle_beta 89.09800657
_cell_angle_gamma 116.84259537
_space_group_n... | data_image0
_chemical_formula_structural Li3Fe5OF11
_chemical_formula_sum "Li3 Fe5 O1 F11"
_cell_length_a 5.256081
_cell_length_b 5.68770732
_cell_length_c 9.29113358
_cell_angle_alpha 107.28857676
_cell_angle_beta 89.09800657
_cell_angle_gamma 116.84259537
_space_group_n... |
MoveAtomAction | d1eac571-d620-48b7-b0d3-bd49fbbe6ab6 | mp-769018 | Move the atom at index 39 by [1.902 2.481 0.282] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Fe8S12O48
_chemical_formula_sum "Li4 Fe8 S12 O48"
_cell_length_a 8.81743
_cell_length_b 8.529569
_cell_length_c 14.69161559
_cell_angle_alpha 55.572251030000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li4Fe8S12O48
_chemical_formula_sum "Li4 Fe8 S12 O48"
_cell_length_a 8.81743
_cell_length_b 8.529569
_cell_length_c 14.69161559
_cell_angle_alpha 55.572251030000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveAtomAction | 442201ca-e51e-401e-88ba-c6325ca81e4e | mp-1190454 | Move the atom at index 10 by [ 1.973 2.02 -1.399] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Hg2As4O14
_chemical_formula_sum "Ba2 Hg2 As4 O14"
_cell_length_a 5.946996
_cell_length_b 7.62598166
_cell_length_c 7.976073309999999
_cell_angle_alpha 101.61846343
_cell_angle_beta 90.95418678000001
_cell_angle_gamma 96.90320637
... | data_image0
_chemical_formula_structural Ba2Hg2As4O14
_chemical_formula_sum "Ba2 Hg2 As4 O14"
_cell_length_a 5.946996
_cell_length_b 7.62598166
_cell_length_c 7.976073309999999
_cell_angle_alpha 101.61846343
_cell_angle_beta 90.95418678000001
_cell_angle_gamma 96.90320637
... |
MoveAtomAction | 91aa936a-90af-44b6-8e29-b71cfe50b045 | mp-26956 | Move the atom at index 13 by [0.949 1.939 3.204] angstrom in the cif file. | data_image0
_chemical_formula_structural V4P16O48
_chemical_formula_sum "V4 P16 O48"
_cell_length_a 8.410582
_cell_length_b 9.194688
_cell_length_c 12.866543
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural 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... |
MoveAtomAction | 7238306c-4ee0-4147-92bc-1070fa1ef40d | mp-685100 | Move the atom at index 32 by [-1.843 -1.356 -0.627] angstrom in the cif file. | data_image0
_chemical_formula_structural Cu14I19
_chemical_formula_sum "Cu14 I19"
_cell_length_a 4.22313188
_cell_length_b 4.22313188
_cell_length_c 67.35931072000001
_cell_angle_alpha 88.48193098
_cell_angle_beta 88.48193098
_cell_angle_gamma 60.305504539999994
_space_gr... | data_image0
_chemical_formula_structural Cu14I19
_chemical_formula_sum "Cu14 I19"
_cell_length_a 4.22313188
_cell_length_b 4.22313188
_cell_length_c 67.35931072000001
_cell_angle_alpha 88.48193098
_cell_angle_beta 88.48193098
_cell_angle_gamma 60.305504539999994
_space_gr... |
MoveAtomAction | ac031c3c-e40f-496a-8a37-9dfea3028c29 | mp-758465 | Move the atom at index 6 by [ 0.947 -1.209 -0.171] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Fe4Si4O16
_chemical_formula_sum "Li8 Fe4 Si4 O16"
_cell_length_a 5.036854
_cell_length_b 6.341048
_cell_length_c 10.98591249
_cell_angle_alpha 87.58882018000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li8Fe4Si4O16
_chemical_formula_sum "Li8 Fe4 Si4 O16"
_cell_length_a 5.036854
_cell_length_b 6.341048
_cell_length_c 10.98591249
_cell_angle_alpha 87.58882018000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveAtomAction | e98a33c0-09e2-4beb-9eee-9bf412a05302 | mp-1236405 | Move the atom at index 1 by [ 0.367 -0.228 -0.559] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs7LiAu5O2
_chemical_formula_sum "Cs7 Li1 Au5 O2"
_cell_length_a 5.97147771
_cell_length_b 10.33391587
_cell_length_c 10.80351527
_cell_angle_alpha 118.57563323999999
_cell_angle_beta 105.98975446
_cell_angle_gamma 89.99598372000001... | data_image0
_chemical_formula_structural Cs7LiAu5O2
_chemical_formula_sum "Cs7 Li1 Au5 O2"
_cell_length_a 5.97147771
_cell_length_b 10.33391587
_cell_length_c 10.80351527
_cell_angle_alpha 118.57563323999999
_cell_angle_beta 105.98975446
_cell_angle_gamma 89.99598372000001... |
MoveAtomAction | e5b44380-3fc7-488d-bb11-e2139cf182e5 | mp-26069 | Move the atom at index 54 by [-2.011 2.145 -0.656] angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Fe8P12O48
_chemical_formula_sum "Li12 Fe8 P12 O48"
_cell_length_a 8.756093
_cell_length_b 8.50317
_cell_length_c 14.72001694
_cell_angle_alpha 55.23547895
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li12Fe8P12O48
_chemical_formula_sum "Li12 Fe8 P12 O48"
_cell_length_a 8.756093
_cell_length_b 8.50317
_cell_length_c 14.72001694
_cell_angle_alpha 55.23547895
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAtomAction | 3f29c35c-ef06-4460-87c2-e4f9f04bf1f3 | mp-1220955 | Move the atom at index 10 by [-3.356 -2.028 -0.536] angstrom in the cif file. | data_image0
_chemical_formula_structural NaSr2Fe6As6
_chemical_formula_sum "Na1 Sr2 Fe6 As6"
_cell_length_a 5.51590271
_cell_length_b 6.51737211
_cell_length_c 8.85506829
_cell_angle_alpha 114.12208189
_cell_angle_beta 71.85308938
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural NaSr2Fe6As6
_chemical_formula_sum "Na1 Sr2 Fe6 As6"
_cell_length_a 5.51590271
_cell_length_b 6.51737211
_cell_length_c 8.85506829
_cell_angle_alpha 114.12208189
_cell_angle_beta 71.85308938
_cell_angle_gamma 90.0
_space_group_name_... |
MoveAtomAction | 3e089df1-8f31-4d96-9016-651275d70304 | mp-1218118 | Move the atom at index 19 by [ 4.345 -7.438 1.717] angstrom in the cif file. | 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 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 "... |
MoveAtomAction | 5f91418c-7b55-4bac-8d6f-c791c9c2bc55 | mp-1111394 | Move the atom at index 7 by [-1.836 2.287 1.115] angstrom in the cif file. | data_image0
_chemical_formula_structural CsRb2IrF6
_chemical_formula_sum "Cs1 Rb2 Ir1 F6"
_cell_length_a 6.78428369
_cell_length_b 6.78428369
_cell_length_c 6.78428369
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural CsRb2IrF6
_chemical_formula_sum "Cs1 Rb2 Ir1 F6"
_cell_length_a 6.78428369
_cell_length_b 6.78428369
_cell_length_c 6.78428369
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... |
MoveAtomAction | 9fff743d-5297-4081-b8fa-861bd7d375c0 | mp-757501 | Move the atom at index 28 by [-0.601 7.278 -1.655] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba6Mn6O18
_chemical_formula_sum "Ba6 Mn6 O18"
_cell_length_a 5.69121041
_cell_length_b 5.6912105
_cell_length_c 14.053766149999998
_cell_angle_alpha 90.0000012
_cell_angle_beta 89.9999992
_cell_angle_gamma 120.00005113
_space_group... | data_image0
_chemical_formula_structural Ba6Mn6O18
_chemical_formula_sum "Ba6 Mn6 O18"
_cell_length_a 5.69121041
_cell_length_b 5.6912105
_cell_length_c 14.053766149999998
_cell_angle_alpha 90.0000012
_cell_angle_beta 89.9999992
_cell_angle_gamma 120.00005113
_space_group... |
MoveAtomAction | 937e3492-d72c-4d91-a4d3-3508a0bf0a51 | mp-757811 | Move the atom at index 31 by [ 0.588 -0.912 -2.362] angstrom in the cif file. | data_image0
_chemical_formula_structural Li6V6P8O32
_chemical_formula_sum "Li6 V6 P8 O32"
_cell_length_a 11.287402
_cell_length_b 6.188605
_cell_length_c 8.723597300000002
_cell_angle_alpha 79.1560149
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li6V6P8O32
_chemical_formula_sum "Li6 V6 P8 O32"
_cell_length_a 11.287402
_cell_length_b 6.188605
_cell_length_c 8.723597300000002
_cell_angle_alpha 79.1560149
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAtomAction | 35d513e8-3b0f-4856-ab21-0a29bb4f764d | mp-1239124 | Move the atom at index 11 by [-2.747 -1.326 0.755] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr2Cr2Cu2S8
_chemical_formula_sum "Zr2 Cr2 Cu2 S8"
_cell_length_a 7.15543779
_cell_length_b 6.081561600000001
_cell_length_c 5.95362075
_cell_angle_alpha 92.72278084
_cell_angle_beta 89.99806957
_cell_angle_gamma 90.00046963
_space... | data_image0
_chemical_formula_structural Zr2Cr2Cu2S8
_chemical_formula_sum "Zr2 Cr2 Cu2 S8"
_cell_length_a 7.15543779
_cell_length_b 6.081561600000001
_cell_length_c 5.95362075
_cell_angle_alpha 92.72278084
_cell_angle_beta 89.99806957
_cell_angle_gamma 90.00046963
_space... |
MoveAtomAction | 1cff0800-e909-4830-90d1-c0624fec3173 | mp-1224356 | Move the atom at index 0 by [-1.342 -3.272 0.877] angstrom in the cif file. | data_image0
_chemical_formula_structural Ge5Te4Se
_chemical_formula_sum "Ge5 Te4 Se1"
_cell_length_a 15.39442332
_cell_length_b 15.394423320000001
_cell_length_c 15.394423320000001
_cell_angle_alpha 164.30776993999996
_cell_angle_beta 164.30776994
_cell_angle_gamma 22.2626... | data_image0
_chemical_formula_structural Ge5Te4Se
_chemical_formula_sum "Ge5 Te4 Se1"
_cell_length_a 15.39442332
_cell_length_b 15.394423320000001
_cell_length_c 15.394423320000001
_cell_angle_alpha 164.30776993999996
_cell_angle_beta 164.30776994
_cell_angle_gamma 22.2626... |
MoveAtomAction | e1e3f866-e678-4cdd-ae65-3f29654a515b | mp-23043 | Move the atom at index 5 by [ 4.463 0.718 -1.568] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2Pb4Br10
_chemical_formula_sum "Rb2 Pb4 Br10"
_cell_length_a 9.54845393
_cell_length_b 9.54845393
_cell_length_c 9.54845393
_cell_angle_alpha 127.32959069999995
_cell_angle_beta 127.32959069999998
_cell_angle_gamma 77.71361011
_s... | data_image0
_chemical_formula_structural Rb2Pb4Br10
_chemical_formula_sum "Rb2 Pb4 Br10"
_cell_length_a 9.54845393
_cell_length_b 9.54845393
_cell_length_c 9.54845393
_cell_angle_alpha 127.32959069999995
_cell_angle_beta 127.32959069999998
_cell_angle_gamma 77.71361011
_s... |
MoveAtomAction | 11c0d11a-ba3f-4257-bec9-e011d0326507 | mp-1110869 | Move the atom at index 0 by [ 4.096 -1.232 -0.885] angstrom in the cif file. | 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 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... |
MoveAtomAction | 50d9b723-9fc4-47a4-a445-b9fc2bbe3b31 | mp-29276 | Move the atom at index 20 by [-0.518 0.492 1.004] angstrom in the cif file. | data_image0
_chemical_formula_structural Cd4P12O34
_chemical_formula_sum "Cd4 P12 O34"
_cell_length_a 18.14337869
_cell_length_b 5.50104233
_cell_length_c 7.61768762
_cell_angle_alpha 68.48695643
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Cd4P12O34
_chemical_formula_sum "Cd4 P12 O34"
_cell_length_a 18.14337869
_cell_length_b 5.50104233
_cell_length_c 7.61768762
_cell_angle_alpha 68.48695643
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveAtomAction | da20ee1f-2cff-46b4-8590-d47eaa78bf13 | mp-504659 | Move the atom at index 10 by [ 0.794 -2.52 1.837] angstrom in the cif file. | data_image0
_chemical_formula_structural Hf24P12
_chemical_formula_sum "Hf24 P12"
_cell_length_a 3.58496007
_cell_length_b 12.21962583
_cell_length_c 15.00803885
_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 Hf24P12
_chemical_formula_sum "Hf24 P12"
_cell_length_a 3.58496007
_cell_length_b 12.21962583
_cell_length_c 15.00803885
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
MoveAtomAction | 441c0f39-3e32-4f72-a624-02034eb668e3 | mp-1221529 | Move the atom at index 9 by [ 1.137 -3.517 1.381] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn2Zn2S8
_chemical_formula_sum "Mn2 Zn2 S8"
_cell_length_a 5.725862
_cell_length_b 5.715813
_cell_length_c 5.7419629
_cell_angle_alpha 89.56709164
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Mn2Zn2S8
_chemical_formula_sum "Mn2 Zn2 S8"
_cell_length_a 5.725862
_cell_length_b 5.715813
_cell_length_c 5.7419629
_cell_angle_alpha 89.56709164
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveAtomAction | f0d7dcc6-7ed1-4eea-be8b-2f2550321c0d | mp-31273 | Move the atom at index 7 by [-2.546 -0.082 -1.06 ] angstrom in the cif file. | data_image0
_chemical_formula_structural La8Cu4S16
_chemical_formula_sum "La8 Cu4 S16"
_cell_length_a 7.57804436
_cell_length_b 7.7499303
_cell_length_c 10.90141497
_cell_angle_alpha 75.46525323
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural La8Cu4S16
_chemical_formula_sum "La8 Cu4 S16"
_cell_length_a 7.57804436
_cell_length_b 7.7499303
_cell_length_c 10.90141497
_cell_angle_alpha 75.46525323
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveAtomAction | 596caeee-667c-4be9-a615-3cb6f8fdf240 | mp-1221103 | Move the atom at index 0 by [ 2.102 -3.697 3.451] angstrom in the cif file. | data_image0
_chemical_formula_structural NaV2S4O4
_chemical_formula_sum "Na1 V2 S4 O4"
_cell_length_a 3.786281
_cell_length_b 5.825814
_cell_length_c 10.46489165
_cell_angle_alpha 74.1597122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural NaV2S4O4
_chemical_formula_sum "Na1 V2 S4 O4"
_cell_length_a 3.786281
_cell_length_b 5.825814
_cell_length_c 10.46489165
_cell_angle_alpha 74.1597122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveAtomAction | 4ae3a474-9b8c-42d7-82f7-815d57b34b81 | mp-23973 | Move the atom at index 33 by [ 0.594 -0.091 0.032] angstrom in the cif file. | data_image0
_chemical_formula_structural K4Mn4P4H8O20
_chemical_formula_sum "K4 Mn4 P4 H8 O20"
_cell_length_a 7.57882163
_cell_length_b 7.5755201
_cell_length_c 9.82198348
_cell_angle_alpha 70.94888752
_cell_angle_beta 70.91164623
_cell_angle_gamma 98.87216427999999
_spac... | data_image0
_chemical_formula_structural K4Mn4P4H8O20
_chemical_formula_sum "K4 Mn4 P4 H8 O20"
_cell_length_a 7.57882163
_cell_length_b 7.5755201
_cell_length_c 9.82198348
_cell_angle_alpha 70.94888752
_cell_angle_beta 70.91164623
_cell_angle_gamma 98.87216427999999
_spac... |
MoveAtomAction | 88e7e6a9-16cd-462b-ab84-ef223daf37ea | mp-1188654 | Move the atom at index 2 by [0.559 0.365 1.359] angstrom in the cif file. | data_image0
_chemical_formula_structural W4N4Cl12
_chemical_formula_sum "W4 N4 Cl12"
_cell_length_a 8.12441992
_cell_length_b 8.26346325
_cell_length_c 9.19329053
_cell_angle_alpha 97.92750325
_cell_angle_beta 107.37182531999999
_cell_angle_gamma 110.76745427000002
_space... | data_image0
_chemical_formula_structural W4N4Cl12
_chemical_formula_sum "W4 N4 Cl12"
_cell_length_a 8.12441992
_cell_length_b 8.26346325
_cell_length_c 9.19329053
_cell_angle_alpha 97.92750325
_cell_angle_beta 107.37182531999999
_cell_angle_gamma 110.76745427000002
_space... |
MoveAtomAction | 1ee7cb84-ce97-4438-9a2b-bd5b74d70485 | mp-571242 | Move the atom at index 6 by [0.173 0.316 1.651] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb8Co4Cl16
_chemical_formula_sum "Rb8 Co4 Cl16"
_cell_length_a 7.387085
_cell_length_b 9.38057
_cell_length_c 12.932925
_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 Rb8Co4Cl16
_chemical_formula_sum "Rb8 Co4 Cl16"
_cell_length_a 7.387085
_cell_length_b 9.38057
_cell_length_c 12.932925
_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... |
MoveAtomAction | c6183df5-3451-4587-97b9-e5dcd083573e | mp-505638 | Move the atom at index 23 by [ 1.031 2.331 -0.806] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb12Cr4Se24
_chemical_formula_sum "Tb12 Cr4 Se24"
_cell_length_a 3.93849841
_cell_length_b 13.95269839
_cell_length_c 16.78435688
_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 Tb12Cr4Se24
_chemical_formula_sum "Tb12 Cr4 Se24"
_cell_length_a 3.93849841
_cell_length_b 13.95269839
_cell_length_c 16.78435688
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveAtomAction | d0a89cdf-9dbd-4550-b547-c31bfe0be19a | mp-1210133 | Move the atom at index 17 by [ 2.902 -1.264 -2.816] angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Ga4P8O28
_chemical_formula_sum "Na4 Ga4 P8 O28"
_cell_length_a 7.923065
_cell_length_b 7.374088
_cell_length_c 9.57433286
_cell_angle_alpha 67.84418012
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Na4Ga4P8O28
_chemical_formula_sum "Na4 Ga4 P8 O28"
_cell_length_a 7.923065
_cell_length_b 7.374088
_cell_length_c 9.57433286
_cell_angle_alpha 67.84418012
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveAtomAction | 51895706-0ab4-4cbb-823e-dd47d4ae5bda | mp-2217302 | Move the atom at index 7 by [2.93 0.567 0.377] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2MgNi2O6
_chemical_formula_sum "Ba2 Mg1 Ni2 O6"
_cell_length_a 5.769695
_cell_length_b 5.76969214
_cell_length_c 5.579483
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99997936
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ba2MgNi2O6
_chemical_formula_sum "Ba2 Mg1 Ni2 O6"
_cell_length_a 5.769695
_cell_length_b 5.76969214
_cell_length_c 5.579483
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99997936
_space_group_name_H-M_alt "P... |
MoveAtomAction | 416de618-bea2-4194-abee-a782ea3e2683 | mp-2715515 | Move the atom at index 43 by [-1.088 -2.185 1.055] angstrom in the cif file. | data_image0
_chemical_formula_structural Na12Sc4In4P12O48
_chemical_formula_sum "Na12 Sc4 In4 P12 O48"
_cell_length_a 15.76486001
_cell_length_b 9.08651758
_cell_length_c 9.08837646
_cell_angle_alpha 90.03804390000002
_cell_angle_beta 125.0957745
_cell_angle_gamma 89.99739... | data_image0
_chemical_formula_structural Na12Sc4In4P12O48
_chemical_formula_sum "Na12 Sc4 In4 P12 O48"
_cell_length_a 15.76486001
_cell_length_b 9.08651758
_cell_length_c 9.08837646
_cell_angle_alpha 90.03804390000002
_cell_angle_beta 125.0957745
_cell_angle_gamma 89.99739... |
MoveAtomAction | d4962d5d-b83b-413a-b16f-927f8a1755d7 | mp-1102140 | Move the atom at index 6 by [ 1.14 -3.018 0.75 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd4Si4Ir4
_chemical_formula_sum "Nd4 Si4 Ir4"
_cell_length_a 6.33666694
_cell_length_b 6.33666694
_cell_length_c 6.33666694
_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 Nd4Si4Ir4
_chemical_formula_sum "Nd4 Si4 Ir4"
_cell_length_a 6.33666694
_cell_length_b 6.33666694
_cell_length_c 6.33666694
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveAtomAction | ab1ae147-79d0-4dfa-9c56-77be50e41fc4 | mp-1194264 | Move the atom at index 2 by [ 3.415 -3.161 1.107] angstrom in the cif file. | data_image0
_chemical_formula_structural Sc6Al16Ni7
_chemical_formula_sum "Sc6 Al16 Ni7"
_cell_length_a 8.53691573
_cell_length_b 8.53691573
_cell_length_c 8.53691573
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural Sc6Al16Ni7
_chemical_formula_sum "Sc6 Al16 Ni7"
_cell_length_a 8.53691573
_cell_length_b 8.53691573
_cell_length_c 8.53691573
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... |
MoveAtomAction | c494ca39-012d-49de-b935-3df11e21e405 | mp-2226919 | Move the atom at index 14 by [ 0.23 -0.591 -0.13 ] angstrom in the cif file. | data_image0
_chemical_formula_structural MgFe2Mo2Cl2O8
_chemical_formula_sum "Mg1 Fe2 Mo2 Cl2 O8"
_cell_length_a 5.33320689
_cell_length_b 7.18641312
_cell_length_c 7.20677149
_cell_angle_alpha 92.84107388
_cell_angle_beta 89.34579586
_cell_angle_gamma 89.2235641
_space_g... | data_image0
_chemical_formula_structural MgFe2Mo2Cl2O8
_chemical_formula_sum "Mg1 Fe2 Mo2 Cl2 O8"
_cell_length_a 5.33320689
_cell_length_b 7.18641312
_cell_length_c 7.20677149
_cell_angle_alpha 92.84107388
_cell_angle_beta 89.34579586
_cell_angle_gamma 89.2235641
_space_g... |
MoveAtomAction | 6d881370-286f-48e7-b71e-fc7ccdf85358 | mp-2240560 | Move the atom at index 8 by [ 1.296 -1.084 -3.567] angstrom in the cif file. | data_image0
_chemical_formula_structural MgTiCo2O6
_chemical_formula_sum "Mg1 Ti1 Co2 O6"
_cell_length_a 6.73686587
_cell_length_b 3.0145380700000004
_cell_length_c 5.8034589599999995
_cell_angle_alpha 75.93404697
_cell_angle_beta 104.75206637
_cell_angle_gamma 89.44645409... | data_image0
_chemical_formula_structural MgTiCo2O6
_chemical_formula_sum "Mg1 Ti1 Co2 O6"
_cell_length_a 6.73686587
_cell_length_b 3.0145380700000004
_cell_length_c 5.8034589599999995
_cell_angle_alpha 75.93404697
_cell_angle_beta 104.75206637
_cell_angle_gamma 89.44645409... |
MoveAtomAction | 5bc07f37-a782-4e33-a0a3-086c5d35d9a5 | mp-770718 | Move the atom at index 30 by [-2.927 -0.33 -4.011] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4I8O24
_chemical_formula_sum "Mg4 I8 O24"
_cell_length_a 5.390324
_cell_length_b 5.70446
_cell_length_c 17.26379
_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 Mg4I8O24
_chemical_formula_sum "Mg4 I8 O24"
_cell_length_a 5.390324
_cell_length_b 5.70446
_cell_length_c 17.26379
_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_... |
MoveAtomAction | 739a4dd9-5d8f-4ce4-83e8-a8be0b166201 | mp-704184 | Move the atom at index 28 by [ 0.034 -2.622 1.619] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn4P16O48
_chemical_formula_sum "Li4 Mn4 P16 O48"
_cell_length_a 9.314677
_cell_length_b 9.314677
_cell_length_c 9.332751
_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 Li4Mn4P16O48
_chemical_formula_sum "Li4 Mn4 P16 O48"
_cell_length_a 9.314677
_cell_length_b 9.314677
_cell_length_c 9.332751
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveAtomAction | 06e346dd-afb6-41f2-a99e-b4ef16b709ac | mp-1336779 | Move the atom at index 34 by [-1.673 2.484 0.848] angstrom in the cif file. | 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 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... |
MoveAtomAction | d2076271-0bc3-4441-934d-1885113fcb61 | mp-1516503 | Move the atom at index 7 by [ 1.525 -0.03 -4.534] angstrom in the cif file. | data_image0
_chemical_formula_structural KHfNbInO6
_chemical_formula_sum "K1 Hf1 Nb1 In1 O6"
_cell_length_a 5.78982912
_cell_length_b 5.78982912
_cell_length_c 5.78982912
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... | data_image0
_chemical_formula_structural KHfNbInO6
_chemical_formula_sum "K1 Hf1 Nb1 In1 O6"
_cell_length_a 5.78982912
_cell_length_b 5.78982912
_cell_length_c 5.78982912
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... |
MoveAtomAction | ee0de0bc-3669-47fb-b616-f98cfda25924 | mp-1195261 | Move the atom at index 19 by [-2.07 -1.743 0.673] angstrom in the cif file. | data_image0
_chemical_formula_structural Ag6Sb8F48
_chemical_formula_sum "Ag6 Sb8 F48"
_cell_length_a 10.98733358
_cell_length_b 10.987333580000001
_cell_length_c 10.987333580000001
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063... | data_image0
_chemical_formula_structural Ag6Sb8F48
_chemical_formula_sum "Ag6 Sb8 F48"
_cell_length_a 10.98733358
_cell_length_b 10.987333580000001
_cell_length_c 10.987333580000001
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063... |
MoveAtomAction | 9cc31f41-7398-4566-9f69-673981a41b37 | mp-1099676 | Move the atom at index 34 by [-1.356 4.046 1.716] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Sr4CoCu7O24
_chemical_formula_sum "Ba4 Sr4 Co1 Cu7 O24"
_cell_length_a 7.91666219
_cell_length_b 7.91666219
_cell_length_c 7.92090246
_cell_angle_alpha 89.93417752
_cell_angle_beta 89.93417752
_cell_angle_gamma 90.00985648
_spac... | data_image0
_chemical_formula_structural Ba4Sr4CoCu7O24
_chemical_formula_sum "Ba4 Sr4 Co1 Cu7 O24"
_cell_length_a 7.91666219
_cell_length_b 7.91666219
_cell_length_c 7.92090246
_cell_angle_alpha 89.93417752
_cell_angle_beta 89.93417752
_cell_angle_gamma 90.00985648
_spac... |
MoveAtomAction | 079a3abc-e99e-4472-a9f9-9d647e4d5dd3 | mp-779526 | Move the atom at index 3 by [-3.782 -1.346 -1.481] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe10O14F6
_chemical_formula_sum "Fe10 O14 F6"
_cell_length_a 4.66250841
_cell_length_b 4.662508409999999
_cell_length_c 15.263086439999999
_cell_angle_alpha 89.97313512
_cell_angle_beta 89.97313512
_cell_angle_gamma 91.42331972
_sp... | data_image0
_chemical_formula_structural Fe10O14F6
_chemical_formula_sum "Fe10 O14 F6"
_cell_length_a 4.66250841
_cell_length_b 4.662508409999999
_cell_length_c 15.263086439999999
_cell_angle_alpha 89.97313512
_cell_angle_beta 89.97313512
_cell_angle_gamma 91.42331972
_sp... |
MoveAtomAction | 2b89ab28-877d-4427-8789-63d6b8dbf33c | mp-770481 | Move the atom at index 21 by [-3.233 -1.04 -4.085] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta9PO25
_chemical_formula_sum "Ta9 P1 O25"
_cell_length_a 11.21513065
_cell_length_b 11.21512517
_cell_length_c 11.21509722
_cell_angle_alpha 91.67753232
_cell_angle_beta 91.67759269
_cell_angle_gamma 160.29681594
_space_group_name... | data_image0
_chemical_formula_structural Ta9PO25
_chemical_formula_sum "Ta9 P1 O25"
_cell_length_a 11.21513065
_cell_length_b 11.21512517
_cell_length_c 11.21509722
_cell_angle_alpha 91.67753232
_cell_angle_beta 91.67759269
_cell_angle_gamma 160.29681594
_space_group_name... |
MoveAtomAction | a7e7412f-3bca-45ad-9954-346304986234 | mp-505712 | Move the atom at index 11 by [ 0.24 1.224 -3.196] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2Ho2Zn2Se6
_chemical_formula_sum "Cs2 Ho2 Zn2 Se6"
_cell_length_a 8.28448384
_cell_length_b 8.28448384
_cell_length_c 10.92566093
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 151.10575998000002
_space_group_name... | data_image0
_chemical_formula_structural Cs2Ho2Zn2Se6
_chemical_formula_sum "Cs2 Ho2 Zn2 Se6"
_cell_length_a 8.28448384
_cell_length_b 8.28448384
_cell_length_c 10.92566093
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 151.10575998000002
_space_group_name... |
MoveAtomAction | c496ac24-939a-4f65-9c05-18ba6232f2ea | mp-27148 | Move the atom at index 21 by [-0.708 -1.122 1.89 ] angstrom in the cif file. | 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 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... |
MoveAtomAction | b9e45e7f-fa07-423d-8b4f-d6b149ff3fd1 | mp-756674 | Move the atom at index 10 by [-1.994 -0.847 1.738] angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Mn4O8F4
_chemical_formula_sum "Li12 Mn4 O8 F4"
_cell_length_a 9.02285
_cell_length_b 9.97236
_cell_length_c 3.55013
_cell_angle_alpha 89.99999425
_cell_angle_beta 89.99999365
_cell_angle_gamma 90.00002418999999
_space_group_nam... | data_image0
_chemical_formula_structural Li12Mn4O8F4
_chemical_formula_sum "Li12 Mn4 O8 F4"
_cell_length_a 9.02285
_cell_length_b 9.97236
_cell_length_c 3.55013
_cell_angle_alpha 89.99999425
_cell_angle_beta 89.99999365
_cell_angle_gamma 90.00002418999999
_space_group_nam... |
MoveAtomAction | ecb0f485-a2ad-4e5e-ba07-65285d938979 | mp-766361 | Move the atom at index 62 by [-1.806 -1.083 -1.271] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb20O50
_chemical_formula_sum "Nb20 O50"
_cell_length_a 11.51573649
_cell_length_b 7.73121522
_cell_length_c 11.39097549
_cell_angle_alpha 99.72313305
_cell_angle_beta 92.01661777
_cell_angle_gamma 80.29335282
_space_group_name_H-M... | data_image0
_chemical_formula_structural Nb20O50
_chemical_formula_sum "Nb20 O50"
_cell_length_a 11.51573649
_cell_length_b 7.73121522
_cell_length_c 11.39097549
_cell_angle_alpha 99.72313305
_cell_angle_beta 92.01661777
_cell_angle_gamma 80.29335282
_space_group_name_H-M... |
MoveAtomAction | b5e0c69a-8843-4036-9562-c482c66e7137 | mp-1185716 | Move the atom at index 25 by [ 1.415 0.192 -1.156] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg16Al12V
_chemical_formula_sum "Mg16 Al12 V1"
_cell_length_a 9.00457005
_cell_length_b 9.004570050000002
_cell_length_c 9.00456959
_cell_angle_alpha 108.85703769
_cell_angle_beta 108.85703769
_cell_angle_gamma 108.85703914999999
_... | data_image0
_chemical_formula_structural Mg16Al12V
_chemical_formula_sum "Mg16 Al12 V1"
_cell_length_a 9.00457005
_cell_length_b 9.004570050000002
_cell_length_c 9.00456959
_cell_angle_alpha 108.85703769
_cell_angle_beta 108.85703769
_cell_angle_gamma 108.85703914999999
_... |
MoveAtomAction | 5d125104-f721-41e2-beb9-37aa09cf79d7 | mp-1212246 | Move the atom at index 9 by [-0.419 -0.679 -1.728] angstrom in the cif file. | data_image0
_chemical_formula_structural Ho10In8Pt4
_chemical_formula_sum "Ho10 In8 Pt4"
_cell_length_a 3.60929981
_cell_length_b 8.03796694
_cell_length_c 18.09545145
_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 Ho10In8Pt4
_chemical_formula_sum "Ho10 In8 Pt4"
_cell_length_a 3.60929981
_cell_length_b 8.03796694
_cell_length_c 18.09545145
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveAtomAction | 4bb04ec8-d415-423e-b502-bee044528ec9 | mp-1567262 | Move the atom at index 21 by [ 0.473 -0.288 -0.089] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn4Sb2O12
_chemical_formula_sum "Li4 Mn4 Sb2 O12"
_cell_length_a 5.35664327
_cell_length_b 10.29296225
_cell_length_c 5.35654319
_cell_angle_alpha 90.01538012
_cell_angle_beta 117.52396316000001
_cell_angle_gamma 90.0107835499999... | data_image0
_chemical_formula_structural Li4Mn4Sb2O12
_chemical_formula_sum "Li4 Mn4 Sb2 O12"
_cell_length_a 5.35664327
_cell_length_b 10.29296225
_cell_length_c 5.35654319
_cell_angle_alpha 90.01538012
_cell_angle_beta 117.52396316000001
_cell_angle_gamma 90.0107835499999... |
MoveAtomAction | 22c00d13-de2e-4f7d-a3a1-4c09f62a9cab | mp-26157 | Move the atom at index 48 by [-1.801 -0.529 0.657] angstrom in the cif file. | 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 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... |
MoveAtomAction | aa9cf450-d68f-430c-8ae9-b5143bcfae2a | mp-8876 | Move the atom at index 8 by [ 0.644 -0.1 0.135] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Al6SO12
_chemical_formula_sum "Ca4 Al6 S1 O12"
_cell_length_a 7.87792826
_cell_length_b 7.87792826
_cell_length_c 7.87792826
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_grou... | data_image0
_chemical_formula_structural Ca4Al6SO12
_chemical_formula_sum "Ca4 Al6 S1 O12"
_cell_length_a 7.87792826
_cell_length_b 7.87792826
_cell_length_c 7.87792826
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_grou... |
MoveAtomAction | 48cd4225-d8e8-4841-b077-3f8f8c0fad66 | mp-1276479 | Move the atom at index 6 by [-2.226 3.03 1.768] angstrom in the cif file. | 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 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... |
MoveAtomAction | 46f4a861-d1cf-4d57-bb3b-fdb29b9e887c | mp-23662 | Move the atom at index 70 by [ 3.343 1.235 -1.027] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8B8H32O32
_chemical_formula_sum "Li8 B8 H32 O32"
_cell_length_a 7.844409
_cell_length_b 8.634831
_cell_length_c 9.266105
_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 Li8B8H32O32
_chemical_formula_sum "Li8 B8 H32 O32"
_cell_length_a 7.844409
_cell_length_b 8.634831
_cell_length_c 9.266105
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
MoveAtomAction | 7d9b3839-7523-4caa-b9cf-04719da19d3a | mp-29127 | Move the atom at index 7 by [-1.166 -2.208 -2.549] angstrom in the cif file. | data_image0
_chemical_formula_structural Bi2Te4Br8
_chemical_formula_sum "Bi2 Te4 Br8"
_cell_length_a 7.514459
_cell_length_b 8.04406023
_cell_length_c 9.36347189
_cell_angle_alpha 91.57138378999998
_cell_angle_beta 102.75868788
_cell_angle_gamma 94.76176305
_space_group_... | data_image0
_chemical_formula_structural Bi2Te4Br8
_chemical_formula_sum "Bi2 Te4 Br8"
_cell_length_a 7.514459
_cell_length_b 8.04406023
_cell_length_c 9.36347189
_cell_angle_alpha 91.57138378999998
_cell_angle_beta 102.75868788
_cell_angle_gamma 94.76176305
_space_group_... |
MoveAtomAction | 934ee66e-2578-4078-8ab3-37d9f49cde73 | mp-1219592 | Move the atom at index 17 by [ 2.609 0.767 -0.915] angstrom in the cif file. | data_image0
_chemical_formula_structural Sb8Cl2O11
_chemical_formula_sum "Sb8 Cl2 O11"
_cell_length_a 4.215232
_cell_length_b 9.16309455
_cell_length_c 11.47414414
_cell_angle_alpha 82.3210295
_cell_angle_beta 86.84209477
_cell_angle_gamma 79.9924929
_space_group_name_H-M... | data_image0
_chemical_formula_structural Sb8Cl2O11
_chemical_formula_sum "Sb8 Cl2 O11"
_cell_length_a 4.215232
_cell_length_b 9.16309455
_cell_length_c 11.47414414
_cell_angle_alpha 82.3210295
_cell_angle_beta 86.84209477
_cell_angle_gamma 79.9924929
_space_group_name_H-M... |
MoveAtomAction | d89576b7-c198-410b-8e50-3f22491a426d | mp-627632 | Move the atom at index 35 by [-2.821 -1.952 2.889] angstrom in the cif file. | data_image0
_chemical_formula_structural Si16H8O36
_chemical_formula_sum "Si16 H8 O36"
_cell_length_a 7.61883303
_cell_length_b 7.618833030000001
_cell_length_c 15.73186293
_cell_angle_alpha 76.02641733
_cell_angle_beta 76.02641733
_cell_angle_gamma 89.99807501000001
_spa... | data_image0
_chemical_formula_structural Si16H8O36
_chemical_formula_sum "Si16 H8 O36"
_cell_length_a 7.61883303
_cell_length_b 7.618833030000001
_cell_length_c 15.73186293
_cell_angle_alpha 76.02641733
_cell_angle_beta 76.02641733
_cell_angle_gamma 89.99807501000001
_spa... |
MoveAtomAction | ab77f764-3c61-4a45-8bdf-805a906d9f5c | mp-776484 | Move the atom at index 73 by [-2.446 -1.15 2.401] angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Sn6P16O58
_chemical_formula_sum "Li12 Sn6 P16 O58"
_cell_length_a 9.887325
_cell_length_b 9.88784158
_cell_length_c 14.0550789
_cell_angle_alpha 89.408322
_cell_angle_beta 89.56631551
_cell_angle_gamma 60.373918750000016
_space... | data_image0
_chemical_formula_structural Li12Sn6P16O58
_chemical_formula_sum "Li12 Sn6 P16 O58"
_cell_length_a 9.887325
_cell_length_b 9.88784158
_cell_length_c 14.0550789
_cell_angle_alpha 89.408322
_cell_angle_beta 89.56631551
_cell_angle_gamma 60.373918750000016
_space... |
MoveAtomAction | 522ad931-6950-4d50-b46b-bce9002c058a | mp-1191019 | Move the atom at index 17 by [ 1.976 2.709 -0.354] angstrom in the cif file. | data_image0
_chemical_formula_structural Er2Mn12P7
_chemical_formula_sum "Er2 Mn12 P7"
_cell_length_a 9.28351044
_cell_length_b 9.28351044
_cell_length_c 3.583117
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000311
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Er2Mn12P7
_chemical_formula_sum "Er2 Mn12 P7"
_cell_length_a 9.28351044
_cell_length_b 9.28351044
_cell_length_c 3.583117
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000311
_space_group_name_H-M_alt "P 1... |
MoveAtomAction | b54331fb-0989-44f9-9e9a-8cafa1cb4dc8 | mp-1172905 | Move the atom at index 7 by [-0.519 -0.997 -0.936] angstrom in the cif file. | data_image0
_chemical_formula_structural Ag3Bi3S6
_chemical_formula_sum "Ag3 Bi3 S6"
_cell_length_a 4.04844097
_cell_length_b 4.04844097
_cell_length_c 19.110277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001577
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Ag3Bi3S6
_chemical_formula_sum "Ag3 Bi3 S6"
_cell_length_a 4.04844097
_cell_length_b 4.04844097
_cell_length_c 19.110277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001577
_space_group_name_H-M_alt "P 1"... |
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