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 | 3a36740f-c0b0-4ed3-af44-e28900cef112 | mp-771389 | Move the atom at index 19 by [-0.115 -0.503 -1.503] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8V12Bi4O32
_chemical_formula_sum "Li8 V12 Bi4 O32"
_cell_length_a 8.71215
_cell_length_b 8.79877885
_cell_length_c 8.80335959
_cell_angle_alpha 89.98981681000001
_cell_angle_beta 89.94922797
_cell_angle_gamma 89.77499762
_space_g... | data_image0
_chemical_formula_structural Li8V12Bi4O32
_chemical_formula_sum "Li8 V12 Bi4 O32"
_cell_length_a 8.71215
_cell_length_b 8.79877885
_cell_length_c 8.80335959
_cell_angle_alpha 89.98981681000001
_cell_angle_beta 89.94922797
_cell_angle_gamma 89.77499762
_space_g... |
MoveAtomAction | e2fc4f34-6a34-4a9a-b177-29c3756c6be4 | mp-6606 | Move the atom at index 7 by [-1.168 0.873 1.366] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2Y2Si8N14
_chemical_formula_sum "Sr2 Y2 Si8 N14"
_cell_length_a 6.06146913
_cell_length_b 6.061469130000001
_cell_length_c 9.888144
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999050999999
_space_group_na... | data_image0
_chemical_formula_structural Sr2Y2Si8N14
_chemical_formula_sum "Sr2 Y2 Si8 N14"
_cell_length_a 6.06146913
_cell_length_b 6.061469130000001
_cell_length_c 9.888144
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999050999999
_space_group_na... |
MoveAtomAction | 0f850b33-69e9-44d5-abc8-742347c4bf0c | mp-777562 | Move the atom at index 28 by [ 0.98 2.461 -1.915] angstrom in the cif file. | data_image0
_chemical_formula_structural Li10Mn3F16
_chemical_formula_sum "Li10 Mn3 F16"
_cell_length_a 10.26234743
_cell_length_b 10.26234743
_cell_length_c 10.26234763
_cell_angle_alpha 34.448470730000004
_cell_angle_beta 34.448470730000004
_cell_angle_gamma 34.448468579... | data_image0
_chemical_formula_structural Li10Mn3F16
_chemical_formula_sum "Li10 Mn3 F16"
_cell_length_a 10.26234743
_cell_length_b 10.26234743
_cell_length_c 10.26234763
_cell_angle_alpha 34.448470730000004
_cell_angle_beta 34.448470730000004
_cell_angle_gamma 34.448468579... |
MoveAtomAction | 4966eb90-7126-4cdc-b691-5830b3fb80e2 | mp-554409 | Move the atom at index 61 by [-1.288 0.949 3.537] angstrom in the cif file. | data_image0
_chemical_formula_structural Na14Fe8P12O48
_chemical_formula_sum "Na14 Fe8 P12 O48"
_cell_length_a 9.8960954
_cell_length_b 9.8960954
_cell_length_c 9.896095039999999
_cell_angle_alpha 86.67409009
_cell_angle_beta 86.67409009
_cell_angle_gamma 86.67408996
_spa... | data_image0
_chemical_formula_structural Na14Fe8P12O48
_chemical_formula_sum "Na14 Fe8 P12 O48"
_cell_length_a 9.8960954
_cell_length_b 9.8960954
_cell_length_c 9.896095039999999
_cell_angle_alpha 86.67409009
_cell_angle_beta 86.67409009
_cell_angle_gamma 86.67408996
_spa... |
MoveAtomAction | 0c4cc893-4b18-4bb3-b05a-cd8a29638022 | mp-756993 | Move the atom at index 10 by [ 0.064 6.349 -1.997] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Co2P4O14
_chemical_formula_sum "Li4 Co2 P4 O14"
_cell_length_a 5.03760902
_cell_length_b 7.68650501
_cell_length_c 7.685553040000001
_cell_angle_alpha 90.00303369
_cell_angle_beta 89.98939698
_cell_angle_gamma 89.99431428
_space... | data_image0
_chemical_formula_structural Li4Co2P4O14
_chemical_formula_sum "Li4 Co2 P4 O14"
_cell_length_a 5.03760902
_cell_length_b 7.68650501
_cell_length_c 7.685553040000001
_cell_angle_alpha 90.00303369
_cell_angle_beta 89.98939698
_cell_angle_gamma 89.99431428
_space... |
MoveAtomAction | 6721d4ae-92b7-4f52-ae18-ba0868227189 | mp-1019520 | Move the atom at index 23 by [ 3.61 -1.128 0.072] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba6Ca4Si4N12
_chemical_formula_sum "Ba6 Ca4 Si4 N12"
_cell_length_a 6.13164704
_cell_length_b 6.13164704
_cell_length_c 13.44096987
_cell_angle_alpha 80.18250428
_cell_angle_beta 80.18250428
_cell_angle_gamma 68.29839738
_space_gro... | data_image0
_chemical_formula_structural Ba6Ca4Si4N12
_chemical_formula_sum "Ba6 Ca4 Si4 N12"
_cell_length_a 6.13164704
_cell_length_b 6.13164704
_cell_length_c 13.44096987
_cell_angle_alpha 80.18250428
_cell_angle_beta 80.18250428
_cell_angle_gamma 68.29839738
_space_gro... |
MoveAtomAction | 334d7d14-a797-46ab-822d-fc3c3ceff874 | mp-1023076 | Move the atom at index 4 by [ 2.813 0.493 -1.898] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2Mg12Mn2
_chemical_formula_sum "Rb2 Mg12 Mn2"
_cell_length_a 5.047298
_cell_length_b 6.619425
_cell_length_c 12.113575
_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 Rb2Mg12Mn2
_chemical_formula_sum "Rb2 Mg12 Mn2"
_cell_length_a 5.047298
_cell_length_b 6.619425
_cell_length_c 12.113575
_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 | a47afb9d-b586-4b6a-8ef2-97bdcc6fba94 | mp-35143 | Move the atom at index 1 by [-0.355 -1.265 -0.413] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Nb2S6
_chemical_formula_sum "Ba2 Nb2 S6"
_cell_length_a 6.95265609
_cell_length_b 6.95265518
_cell_length_c 5.73582701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998911000002
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba2Nb2S6
_chemical_formula_sum "Ba2 Nb2 S6"
_cell_length_a 6.95265609
_cell_length_b 6.95265518
_cell_length_c 5.73582701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998911000002
_space_group_name_H-M_alt ... |
MoveAtomAction | f78091b3-aebc-4dbf-9f37-6f258d565871 | mp-1226671 | Move the atom at index 13 by [1.565 3.081 1.368] angstrom in the cif file. | data_image0
_chemical_formula_structural Co4P6H22N4O18
_chemical_formula_sum "Co4 P6 H22 N4 O18"
_cell_length_a 5.43236963
_cell_length_b 5.43236963
_cell_length_c 19.001666
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999553999999
_space_group_nam... | data_image0
_chemical_formula_structural Co4P6H22N4O18
_chemical_formula_sum "Co4 P6 H22 N4 O18"
_cell_length_a 5.43236963
_cell_length_b 5.43236963
_cell_length_c 19.001666
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999553999999
_space_group_nam... |
MoveAtomAction | 7e1bda5d-5a8b-444b-b335-d449afd4f10b | mp-1188153 | Move the atom at index 0 by [-3.345 -0.12 -0.349] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti10Ga6
_chemical_formula_sum "Ti10 Ga6"
_cell_length_a 4.976478
_cell_length_b 7.67882184
_cell_length_c 7.67882184
_cell_angle_alpha 83.97275885000002
_cell_angle_beta 71.09263475
_cell_angle_gamma 71.09263475
_space_group_name_H... | data_image0
_chemical_formula_structural Ti10Ga6
_chemical_formula_sum "Ti10 Ga6"
_cell_length_a 4.976478
_cell_length_b 7.67882184
_cell_length_c 7.67882184
_cell_angle_alpha 83.97275885000002
_cell_angle_beta 71.09263475
_cell_angle_gamma 71.09263475
_space_group_name_H... |
MoveAtomAction | d4c2a679-22e4-4422-a4cd-bd19b8e3a573 | mp-736701 | Move the atom at index 8 by [-2.299 1.127 -1.3 ] angstrom in the cif file. | data_image0
_chemical_formula_structural P16Pt4I4O40
_chemical_formula_sum "P16 Pt4 I4 O40"
_cell_length_a 22.055377
_cell_length_b 11.048324
_cell_length_c 16.91252637
_cell_angle_alpha 60.475079529999995
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural P16Pt4I4O40
_chemical_formula_sum "P16 Pt4 I4 O40"
_cell_length_a 22.055377
_cell_length_b 11.048324
_cell_length_c 16.91252637
_cell_angle_alpha 60.475079529999995
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
MoveAtomAction | 442c1dbe-fadd-4e40-8d5d-6eff2c68109e | mp-1569720 | Move the atom at index 17 by [ 0.669 -1.814 1.058] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Si4Ni2O12
_chemical_formula_sum "Li4 Si4 Ni2 O12"
_cell_length_a 5.12306407
_cell_length_b 10.43044348
_cell_length_c 5.12760704
_cell_angle_alpha 104.44993766000002
_cell_angle_beta 90.72066576999998
_cell_angle_gamma 75.5191547... | data_image0
_chemical_formula_structural Li4Si4Ni2O12
_chemical_formula_sum "Li4 Si4 Ni2 O12"
_cell_length_a 5.12306407
_cell_length_b 10.43044348
_cell_length_c 5.12760704
_cell_angle_alpha 104.44993766000002
_cell_angle_beta 90.72066576999998
_cell_angle_gamma 75.5191547... |
MoveAtomAction | 435a2fa9-3580-4250-8f67-4dff2ea98870 | mp-1028023 | Move the atom at index 15 by [-0.722 -2.041 1.18 ] angstrom in the cif file. | data_image0
_chemical_formula_structural YMg14W
_chemical_formula_sum "Y1 Mg14 W1"
_cell_length_a 6.39875587
_cell_length_b 6.39875534
_cell_length_c 10.17357779
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000267
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural YMg14W
_chemical_formula_sum "Y1 Mg14 W1"
_cell_length_a 6.39875587
_cell_length_b 6.39875534
_cell_length_c 10.17357779
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000267
_space_group_name_H-M_alt "P 1"... |
MoveAtomAction | e8a752af-5ab3-4fe3-b54a-6585634984d0 | mp-1520242 | Move the atom at index 1 by [-1.994 2.612 0.666] angstrom in the cif file. | data_image0
_chemical_formula_structural BaNaPrSeO6
_chemical_formula_sum "Ba1 Na1 Pr1 Se1 O6"
_cell_length_a 5.89468683
_cell_length_b 5.89468683
_cell_length_c 5.89468683
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural BaNaPrSeO6
_chemical_formula_sum "Ba1 Na1 Pr1 Se1 O6"
_cell_length_a 5.89468683
_cell_length_b 5.89468683
_cell_length_c 5.89468683
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... |
MoveAtomAction | fad0d280-b5fa-416a-a1d4-e0bd90d15cb6 | mp-1113343 | Move the atom at index 8 by [2.057 0.059 1.692] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2LaCuCl6
_chemical_formula_sum "Rb2 La1 Cu1 Cl6"
_cell_length_a 7.52618154
_cell_length_b 7.52618154
_cell_length_c 7.52618154
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Rb2LaCuCl6
_chemical_formula_sum "Rb2 La1 Cu1 Cl6"
_cell_length_a 7.52618154
_cell_length_b 7.52618154
_cell_length_c 7.52618154
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... |
MoveAtomAction | b5cae5e2-04b8-4771-9fb3-8f278c8fa712 | mp-554183 | Move the atom at index 4 by [-0.662 -5.069 2.894] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr2Hg6S4Cl12
_chemical_formula_sum "Zr2 Hg6 S4 Cl12"
_cell_length_a 7.544576
_cell_length_b 6.78409
_cell_length_c 13.284343279999998
_cell_angle_alpha 88.5274253
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Zr2Hg6S4Cl12
_chemical_formula_sum "Zr2 Hg6 S4 Cl12"
_cell_length_a 7.544576
_cell_length_b 6.78409
_cell_length_c 13.284343279999998
_cell_angle_alpha 88.5274253
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
MoveAtomAction | 5e19a89c-aaf0-4873-a2ae-d5ad3cac7bd5 | mp-8762 | Move the atom at index 17 by [2.271 0.661 2.988] angstrom in the cif file. | data_image0
_chemical_formula_structural Er8S8O4
_chemical_formula_sum "Er8 S8 O4"
_cell_length_a 6.79738802
_cell_length_b 6.78756073
_cell_length_c 8.18333571
_cell_angle_alpha 80.45408257
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Er8S8O4
_chemical_formula_sum "Er8 S8 O4"
_cell_length_a 6.79738802
_cell_length_b 6.78756073
_cell_length_c 8.18333571
_cell_angle_alpha 80.45408257
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveAtomAction | c4eb11e2-f204-4e32-ab70-3086675c35ee | mp-28507 | Move the atom at index 19 by [ 0.017 -3.326 -2.68 ] angstrom in the cif file. | 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 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 ... |
MoveAtomAction | 6835c0bc-5a20-42f1-9b78-6eb0bb943cba | mp-975336 | Move the atom at index 4 by [0.878 3.497 2.179] angstrom in the cif file. | data_image0
_chemical_formula_structural K4C4S4N4
_chemical_formula_sum "K4 C4 S4 N4"
_cell_length_a 6.479805
_cell_length_b 6.515581
_cell_length_c 11.139016
_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 K4C4S4N4
_chemical_formula_sum "K4 C4 S4 N4"
_cell_length_a 6.479805
_cell_length_b 6.515581
_cell_length_c 11.139016
_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... |
MoveAtomAction | 09c86af5-24a4-40cc-b7a6-8d83cecaa870 | mp-1073136 | Move the atom at index 4 by [ 0.747 0.995 -2.467] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4Si6
_chemical_formula_sum "Mg4 Si6"
_cell_length_a 9.05872674
_cell_length_b 9.05872674
_cell_length_c 5.883903
_cell_angle_alpha 75.27003462
_cell_angle_beta 75.27003462
_cell_angle_gamma 22.43453618
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg4Si6
_chemical_formula_sum "Mg4 Si6"
_cell_length_a 9.05872674
_cell_length_b 9.05872674
_cell_length_c 5.883903
_cell_angle_alpha 75.27003462
_cell_angle_beta 75.27003462
_cell_angle_gamma 22.43453618
_space_group_name_H-M_alt ... |
MoveAtomAction | 7248f30f-57f3-4b53-8132-2e88fb828a1d | mp-734797 | Move the atom at index 15 by [1.374 1.506 1.251] angstrom in the cif file. | data_image0
_chemical_formula_structural Na12P16O48
_chemical_formula_sum "Na12 P16 O48"
_cell_length_a 10.093384
_cell_length_b 8.84461
_cell_length_c 14.5321717
_cell_angle_alpha 52.48451104000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na12P16O48
_chemical_formula_sum "Na12 P16 O48"
_cell_length_a 10.093384
_cell_length_b 8.84461
_cell_length_c 14.5321717
_cell_angle_alpha 52.48451104000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAtomAction | 7233bf83-9441-4f47-8d65-4ef083ccc91d | mp-1020592 | Move the atom at index 9 by [1.908 1.009 2.336] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr8Li4Si8N16O2
_chemical_formula_sum "Sr8 Li4 Si8 N16 O2"
_cell_length_a 9.374073
_cell_length_b 9.374073
_cell_length_c 5.608788
_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 Sr8Li4Si8N16O2
_chemical_formula_sum "Sr8 Li4 Si8 N16 O2"
_cell_length_a 9.374073
_cell_length_b 9.374073
_cell_length_c 5.608788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveAtomAction | e701ce31-c617-40c1-91a5-f0c783dd73b9 | mp-754319 | Move the atom at index 6 by [-3.082 -0.232 -3.514] angstrom in the cif file. | data_image0
_chemical_formula_structural Li3NbNi4O8
_chemical_formula_sum "Li3 Nb1 Ni4 O8"
_cell_length_a 5.968496
_cell_length_b 5.967901590000001
_cell_length_c 5.975774150000001
_cell_angle_alpha 88.89278859
_cell_angle_beta 119.40810863
_cell_angle_gamma 60.71838540000... | data_image0
_chemical_formula_structural Li3NbNi4O8
_chemical_formula_sum "Li3 Nb1 Ni4 O8"
_cell_length_a 5.968496
_cell_length_b 5.967901590000001
_cell_length_c 5.975774150000001
_cell_angle_alpha 88.89278859
_cell_angle_beta 119.40810863
_cell_angle_gamma 60.71838540000... |
MoveAtomAction | 1d4ffbd5-ae7e-4765-8623-0e262f9ed16d | mp-1226356 | Move the atom at index 6 by [ 2.271 -1.857 -0.67 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Dy20In40Rh19
_chemical_formula_sum "Dy20 In40 Rh19"
_cell_length_a 13.573736
_cell_length_b 13.573736
_cell_length_c 9.436804
_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 Dy20In40Rh19
_chemical_formula_sum "Dy20 In40 Rh19"
_cell_length_a 13.573736
_cell_length_b 13.573736
_cell_length_c 9.436804
_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 | dd2c92f0-268b-4502-9521-cb3d09cc8570 | mp-1224332 | Move the atom at index 17 by [ 0.092 1.064 -3.439] angstrom in the cif file. | data_image0
_chemical_formula_structural InAs4Pd15
_chemical_formula_sum "In1 As4 Pd15"
_cell_length_a 18.47709191
_cell_length_b 18.47709191
_cell_length_c 18.47709221
_cell_angle_alpha 13.853155029999996
_cell_angle_beta 13.853155029999996
_cell_angle_gamma 13.8531551699... | data_image0
_chemical_formula_structural InAs4Pd15
_chemical_formula_sum "In1 As4 Pd15"
_cell_length_a 18.47709191
_cell_length_b 18.47709191
_cell_length_c 18.47709221
_cell_angle_alpha 13.853155029999996
_cell_angle_beta 13.853155029999996
_cell_angle_gamma 13.8531551699... |
MoveAtomAction | 1f4ee0c8-cd13-483d-922b-b6d1cb342ec2 | mp-772223 | Move the atom at index 31 by [ 2.082 -0.724 0.285] angstrom in the cif file. | data_image0
_chemical_formula_structural Na12Fe4B8O24
_chemical_formula_sum "Na12 Fe4 B8 O24"
_cell_length_a 9.571733
_cell_length_b 5.551744
_cell_length_c 11.52601236
_cell_angle_alpha 65.20747392
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na12Fe4B8O24
_chemical_formula_sum "Na12 Fe4 B8 O24"
_cell_length_a 9.571733
_cell_length_b 5.551744
_cell_length_c 11.52601236
_cell_angle_alpha 65.20747392
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAtomAction | 83236701-aa21-43fe-9603-6334122cec11 | mp-3887 | Move the atom at index 18 by [ 2.001 -1.286 1.186] angstrom in the cif file. | data_image0
_chemical_formula_structural Li24Ga8N16
_chemical_formula_sum "Li24 Ga8 N16"
_cell_length_a 8.28699076
_cell_length_b 8.28700506
_cell_length_c 8.2869912
_cell_angle_alpha 109.47035236
_cell_angle_beta 109.47043864999999
_cell_angle_gamma 109.47038533000001
_s... | data_image0
_chemical_formula_structural Li24Ga8N16
_chemical_formula_sum "Li24 Ga8 N16"
_cell_length_a 8.28699076
_cell_length_b 8.28700506
_cell_length_c 8.2869912
_cell_angle_alpha 109.47035236
_cell_angle_beta 109.47043864999999
_cell_angle_gamma 109.47038533000001
_s... |
MoveAtomAction | 84288c08-4357-48d6-9ecd-1b2be4483612 | mp-1221055 | Move the atom at index 47 by [ 4.013 1.94 -0.799] angstrom in the cif file. | data_image0
_chemical_formula_structural NaMg2Al6VSi6B3H3O31
_chemical_formula_sum "Na1 Mg2 Al6 V1 Si6 B3 H3 O31"
_cell_length_a 9.6145201
_cell_length_b 9.6145201
_cell_length_c 7.22996037
_cell_angle_alpha 75.4273574
_cell_angle_beta 75.4273574
_cell_angle_gamma 113.8554... | data_image0
_chemical_formula_structural NaMg2Al6VSi6B3H3O31
_chemical_formula_sum "Na1 Mg2 Al6 V1 Si6 B3 H3 O31"
_cell_length_a 9.6145201
_cell_length_b 9.6145201
_cell_length_c 7.22996037
_cell_angle_alpha 75.4273574
_cell_angle_beta 75.4273574
_cell_angle_gamma 113.8554... |
MoveAtomAction | c727ae8b-d5d9-48ee-bad4-cb2b1af71075 | mp-753686 | Move the atom at index 1 by [-2.434 2.344 -6.469] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V2Cr2P4O16F4
_chemical_formula_sum "Li4 V2 Cr2 P4 O16 F4"
_cell_length_a 5.37201066
_cell_length_b 10.2257436
_cell_length_c 7.3471609
_cell_angle_alpha 76.01483243999999
_cell_angle_beta 73.07426687
_cell_angle_gamma 99.89994098... | data_image0
_chemical_formula_structural Li4V2Cr2P4O16F4
_chemical_formula_sum "Li4 V2 Cr2 P4 O16 F4"
_cell_length_a 5.37201066
_cell_length_b 10.2257436
_cell_length_c 7.3471609
_cell_angle_alpha 76.01483243999999
_cell_angle_beta 73.07426687
_cell_angle_gamma 99.89994098... |
MoveAtomAction | 2428941a-bc65-47ab-b95b-f85ae0c495dd | mp-1516711 | Move the atom at index 36 by [-4.267 -1.418 0.18 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr8Sm4Nb4O24
_chemical_formula_sum "Sr8 Sm4 Nb4 O24"
_cell_length_a 8.46943657
_cell_length_b 8.46943657
_cell_length_c 8.46943657
_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 Sr8Sm4Nb4O24
_chemical_formula_sum "Sr8 Sm4 Nb4 O24"
_cell_length_a 8.46943657
_cell_length_b 8.46943657
_cell_length_c 8.46943657
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveAtomAction | 6f85d80f-6b65-4d3d-8349-97ef4ebd1f91 | mp-866741 | Move the atom at index 7 by [-2.631 -0.92 -0.762] angstrom in the cif file. | data_image0
_chemical_formula_structural LiNd9Mo16O35
_chemical_formula_sum "Li1 Nd9 Mo16 O35"
_cell_length_a 10.15639579
_cell_length_b 10.15639579
_cell_length_c 9.90256916
_cell_angle_alpha 79.14377329000001
_cell_angle_beta 79.14377329000001
_cell_angle_gamma 50.938229... | data_image0
_chemical_formula_structural LiNd9Mo16O35
_chemical_formula_sum "Li1 Nd9 Mo16 O35"
_cell_length_a 10.15639579
_cell_length_b 10.15639579
_cell_length_c 9.90256916
_cell_angle_alpha 79.14377329000001
_cell_angle_beta 79.14377329000001
_cell_angle_gamma 50.938229... |
MoveAtomAction | 8df32fa3-0fb1-462c-9749-b3cabf0114ee | mp-757167 | Move the atom at index 46 by [ 3.216 -1.759 -2.923] angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Si6Ni6O24
_chemical_formula_sum "Li12 Si6 Ni6 O24"
_cell_length_a 5.01778106
_cell_length_b 8.691764240000001
_cell_length_c 12.53414011
_cell_angle_alpha 110.25805743
_cell_angle_beta 101.56827368999998
_cell_angle_gamma 89.993... | data_image0
_chemical_formula_structural Li12Si6Ni6O24
_chemical_formula_sum "Li12 Si6 Ni6 O24"
_cell_length_a 5.01778106
_cell_length_b 8.691764240000001
_cell_length_c 12.53414011
_cell_angle_alpha 110.25805743
_cell_angle_beta 101.56827368999998
_cell_angle_gamma 89.993... |
MoveAtomAction | 1c2a919e-b07b-4139-9582-5df37f667079 | mp-1190262 | Move the atom at index 17 by [-1.088 2.711 0.791] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr10Sb6Ru2
_chemical_formula_sum "Zr10 Sb6 Ru2"
_cell_length_a 8.73189757
_cell_length_b 8.73189757
_cell_length_c 5.899617
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999677999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Zr10Sb6Ru2
_chemical_formula_sum "Zr10 Sb6 Ru2"
_cell_length_a 8.73189757
_cell_length_b 8.73189757
_cell_length_c 5.899617
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999677999999
_space_group_name_H-M_alt... |
MoveAtomAction | 2da9e52d-3d9e-4da3-a601-5dd94fbf328a | mp-1110620 | Move the atom at index 0 by [ 4.019 -3.531 1.152] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2TlCoF6
_chemical_formula_sum "Na2 Tl1 Co1 F6"
_cell_length_a 6.195451
_cell_length_b 6.19544992
_cell_length_c 6.19545011
_cell_angle_alpha 60.000003779999986
_cell_angle_beta 60.00000055999999
_cell_angle_gamma 59.99999958999999... | data_image0
_chemical_formula_structural Na2TlCoF6
_chemical_formula_sum "Na2 Tl1 Co1 F6"
_cell_length_a 6.195451
_cell_length_b 6.19544992
_cell_length_c 6.19545011
_cell_angle_alpha 60.000003779999986
_cell_angle_beta 60.00000055999999
_cell_angle_gamma 59.99999958999999... |
MoveAtomAction | 9acc5dcb-321d-4b3c-b370-8af257867bd4 | mp-1214585 | Move the atom at index 11 by [1.774 2.859 1.961] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2PrCu3O6
_chemical_formula_sum "Ba2 Pr1 Cu3 O6"
_cell_length_a 3.927893
_cell_length_b 3.927893
_cell_length_c 12.23912
_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 Ba2PrCu3O6
_chemical_formula_sum "Ba2 Pr1 Cu3 O6"
_cell_length_a 3.927893
_cell_length_b 3.927893
_cell_length_c 12.23912
_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 | 8842c30d-29c5-4f7d-ac5c-ee3b385eaad1 | mp-555776 | Move the atom at index 14 by [ 1.355 -3.493 0.958] angstrom in the cif file. | data_image0
_chemical_formula_structural K12Sc4Mo12O48
_chemical_formula_sum "K12 Sc4 Mo12 O48"
_cell_length_a 9.38062564
_cell_length_b 10.91916168
_cell_length_c 13.68100805
_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 K12Sc4Mo12O48
_chemical_formula_sum "K12 Sc4 Mo12 O48"
_cell_length_a 9.38062564
_cell_length_b 10.91916168
_cell_length_c 13.68100805
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAtomAction | c73588b4-2d1b-4354-b28c-b1fa09f49346 | mp-1229067 | Move the atom at index 27 by [ 2.752 3.047 -1.354] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba10Y5Cu15O32
_chemical_formula_sum "Ba10 Y5 Cu15 O32"
_cell_length_a 5.517439
_cell_length_b 13.252585109999998
_cell_length_c 14.017815380000002
_cell_angle_alpha 114.07744676
_cell_angle_beta 100.45847076
_cell_angle_gamma 90.372... | data_image0
_chemical_formula_structural Ba10Y5Cu15O32
_chemical_formula_sum "Ba10 Y5 Cu15 O32"
_cell_length_a 5.517439
_cell_length_b 13.252585109999998
_cell_length_c 14.017815380000002
_cell_angle_alpha 114.07744676
_cell_angle_beta 100.45847076
_cell_angle_gamma 90.372... |
MoveAtomAction | 55afb65e-7870-43fb-8e5a-1a451be48edc | mp-1020027 | Move the atom at index 6 by [-1.375 3.223 -4.683] angstrom in the cif file. | data_image0
_chemical_formula_structural Li16P8O28
_chemical_formula_sum "Li16 P8 O28"
_cell_length_a 5.300503
_cell_length_b 8.596584
_cell_length_c 13.95281911
_cell_angle_alpha 67.84074955
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Li16P8O28
_chemical_formula_sum "Li16 P8 O28"
_cell_length_a 5.300503
_cell_length_b 8.596584
_cell_length_c 13.95281911
_cell_angle_alpha 67.84074955
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveAtomAction | 2a102dc3-3cd2-4482-a07d-b2fda14fe515 | mp-1179899 | Move the atom at index 2 by [ 1.813 -1.081 1.358] angstrom in the cif file. | data_image0
_chemical_formula_structural Pt4N8Cl8O8
_chemical_formula_sum "Pt4 N8 Cl8 O8"
_cell_length_a 7.528554
_cell_length_b 7.528554
_cell_length_c 16.85768
_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 Pt4N8Cl8O8
_chemical_formula_sum "Pt4 N8 Cl8 O8"
_cell_length_a 7.528554
_cell_length_b 7.528554
_cell_length_c 16.85768
_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 | 828122f1-6cc1-4dcf-820f-69c377ae5dd4 | mp-630927 | Move the atom at index 5 by [ 2.175 -0.603 -1.815] angstrom in the cif file. | data_image0
_chemical_formula_structural Pb4SeBr6
_chemical_formula_sum "Pb4 Se1 Br6"
_cell_length_a 9.65353821
_cell_length_b 9.65353821
_cell_length_c 10.17135553
_cell_angle_alpha 59.32996063
_cell_angle_beta 59.32996063
_cell_angle_gamma 26.429569669999996
_space_grou... | data_image0
_chemical_formula_structural Pb4SeBr6
_chemical_formula_sum "Pb4 Se1 Br6"
_cell_length_a 9.65353821
_cell_length_b 9.65353821
_cell_length_c 10.17135553
_cell_angle_alpha 59.32996063
_cell_angle_beta 59.32996063
_cell_angle_gamma 26.429569669999996
_space_grou... |
MoveAtomAction | 6ed3db3f-a94d-4eab-aefb-a3cec528bb1c | mp-984755 | Move the atom at index 24 by [ 2.653 -2.814 0.646] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb8Ag4O22
_chemical_formula_sum "Nb8 Ag4 O22"
_cell_length_a 13.2430866
_cell_length_b 13.243086600000002
_cell_length_c 13.24308617
_cell_angle_alpha 27.34979933000001
_cell_angle_beta 27.349799329999986
_cell_angle_gamma 27.349797... | data_image0
_chemical_formula_structural Nb8Ag4O22
_chemical_formula_sum "Nb8 Ag4 O22"
_cell_length_a 13.2430866
_cell_length_b 13.243086600000002
_cell_length_c 13.24308617
_cell_angle_alpha 27.34979933000001
_cell_angle_beta 27.349799329999986
_cell_angle_gamma 27.349797... |
MoveAtomAction | b77c99db-df19-4450-aaa2-e955bde6afea | mp-560404 | Move the atom at index 12 by [-2.271 -4.238 -0.211] angstrom in the cif file. | data_image0
_chemical_formula_structural In4H4Se4O16
_chemical_formula_sum "In4 H4 Se4 O16"
_cell_length_a 5.781556
_cell_length_b 8.18983902
_cell_length_c 8.30235407
_cell_angle_alpha 87.63456667
_cell_angle_beta 79.51510282
_cell_angle_gamma 83.03947911
_space_group_na... | data_image0
_chemical_formula_structural In4H4Se4O16
_chemical_formula_sum "In4 H4 Se4 O16"
_cell_length_a 5.781556
_cell_length_b 8.18983902
_cell_length_c 8.30235407
_cell_angle_alpha 87.63456667
_cell_angle_beta 79.51510282
_cell_angle_gamma 83.03947911
_space_group_na... |
MoveAtomAction | 8d4645c3-3b05-4756-8855-2b7a556112c0 | mp-766179 | Move the atom at index 46 by [-0.063 -2.972 -0.669] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Si12Bi4O32
_chemical_formula_sum "Li4 Si12 Bi4 O32"
_cell_length_a 7.74983439
_cell_length_b 7.749834389999999
_cell_length_c 12.95761985
_cell_angle_alpha 83.61454607
_cell_angle_beta 83.61454607
_cell_angle_gamma 113.0654753599... | data_image0
_chemical_formula_structural Li4Si12Bi4O32
_chemical_formula_sum "Li4 Si12 Bi4 O32"
_cell_length_a 7.74983439
_cell_length_b 7.749834389999999
_cell_length_c 12.95761985
_cell_angle_alpha 83.61454607
_cell_angle_beta 83.61454607
_cell_angle_gamma 113.0654753599... |
MoveAtomAction | 3f2610f9-f552-4793-b416-cf0c9316ac86 | mp-676665 | Move the atom at index 5 by [-1.408 3.749 0.134] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba8Ta4Ti2Zn2O24
_chemical_formula_sum "Ba8 Ta4 Ti2 Zn2 O24"
_cell_length_a 10.10342246
_cell_length_b 10.103422459999999
_cell_length_c 10.10342246
_cell_angle_alpha 132.09728127
_cell_angle_beta 132.09728127
_cell_angle_gamma 70.07... | data_image0
_chemical_formula_structural Ba8Ta4Ti2Zn2O24
_chemical_formula_sum "Ba8 Ta4 Ti2 Zn2 O24"
_cell_length_a 10.10342246
_cell_length_b 10.103422459999999
_cell_length_c 10.10342246
_cell_angle_alpha 132.09728127
_cell_angle_beta 132.09728127
_cell_angle_gamma 70.07... |
MoveAtomAction | 1b48fe53-f2b5-42a3-9cbd-cf6c83fbd7d5 | mp-1197785 | Move the atom at index 36 by [ 0.23 -0.633 -1.658] angstrom in the cif file. | data_image0
_chemical_formula_structural H24C4S8N8
_chemical_formula_sum "H24 C4 S8 N8"
_cell_length_a 8.74992576
_cell_length_b 8.74992576
_cell_length_c 9.477412150000001
_cell_angle_alpha 57.72534230000001
_cell_angle_beta 57.72534230000001
_cell_angle_gamma 64.8671258
... | data_image0
_chemical_formula_structural H24C4S8N8
_chemical_formula_sum "H24 C4 S8 N8"
_cell_length_a 8.74992576
_cell_length_b 8.74992576
_cell_length_c 9.477412150000001
_cell_angle_alpha 57.72534230000001
_cell_angle_beta 57.72534230000001
_cell_angle_gamma 64.8671258
... |
MoveAtomAction | 6070232f-80fa-41b9-88bb-9ff9cbf3d1fc | mp-558208 | Move the atom at index 42 by [-1.906 -1.078 2.274] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb4In4As8O28
_chemical_formula_sum "Rb4 In4 As8 O28"
_cell_length_a 7.998615
_cell_length_b 8.86373573
_cell_length_c 10.69576725
_cell_angle_alpha 91.16349427
_cell_angle_beta 89.94365113
_cell_angle_gamma 105.73091060000002
_spac... | data_image0
_chemical_formula_structural Rb4In4As8O28
_chemical_formula_sum "Rb4 In4 As8 O28"
_cell_length_a 7.998615
_cell_length_b 8.86373573
_cell_length_c 10.69576725
_cell_angle_alpha 91.16349427
_cell_angle_beta 89.94365113
_cell_angle_gamma 105.73091060000002
_spac... |
MoveAtomAction | 3ac887f4-6139-45c5-b159-e88fcd352789 | mp-1095479 | Move the atom at index 6 by [-0.688 0.06 0.083] angstrom in the cif file. | data_image0
_chemical_formula_structural Gd4S8
_chemical_formula_sum "Gd4 S8"
_cell_length_a 3.95110384
_cell_length_b 7.91220526
_cell_length_c 7.95801151
_cell_angle_alpha 89.83513708
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Gd4S8
_chemical_formula_sum "Gd4 S8"
_cell_length_a 3.95110384
_cell_length_b 7.91220526
_cell_length_c 7.95801151
_cell_angle_alpha 89.83513708
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
MoveAtomAction | b214c34d-a05c-4508-aeca-99f996d46697 | mp-1048547 | Move the atom at index 5 by [-3.333 -0.704 -1.254] angstrom in the cif file. | data_image0
_chemical_formula_structural Zn2Ni4O8
_chemical_formula_sum "Zn2 Ni4 O8"
_cell_length_a 5.62862077
_cell_length_b 5.88821498
_cell_length_c 5.62875115
_cell_angle_alpha 61.43564079000001
_cell_angle_beta 90.00562176
_cell_angle_gamma 118.56359498
_space_group_... | data_image0
_chemical_formula_structural Zn2Ni4O8
_chemical_formula_sum "Zn2 Ni4 O8"
_cell_length_a 5.62862077
_cell_length_b 5.88821498
_cell_length_c 5.62875115
_cell_angle_alpha 61.43564079000001
_cell_angle_beta 90.00562176
_cell_angle_gamma 118.56359498
_space_group_... |
MoveAtomAction | 204d206b-3d3e-4e74-bbfa-f119e69047fe | mp-753610 | Move the atom at index 2 by [ 2.73 -1.034 2.032] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Ca2I8
_chemical_formula_sum "Ba2 Ca2 I8"
_cell_length_a 11.45684617
_cell_length_b 11.45684617
_cell_length_c 8.300787
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 149.20882434999996
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba2Ca2I8
_chemical_formula_sum "Ba2 Ca2 I8"
_cell_length_a 11.45684617
_cell_length_b 11.45684617
_cell_length_c 8.300787
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 149.20882434999996
_space_group_name_H-M_alt ... |
MoveAtomAction | 00ae3814-12c4-4e51-822e-84ed71a3635f | mp-570363 | Move the atom at index 9 by [-0.497 4.053 0.769] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Si8
_chemical_formula_sum "Li8 Si8"
_cell_length_a 8.12714356
_cell_length_b 8.12714356
_cell_length_c 8.12714356
_cell_angle_alpha 102.42516628
_cell_angle_beta 102.42516628
_cell_angle_gamma 124.72731542
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li8Si8
_chemical_formula_sum "Li8 Si8"
_cell_length_a 8.12714356
_cell_length_b 8.12714356
_cell_length_c 8.12714356
_cell_angle_alpha 102.42516628
_cell_angle_beta 102.42516628
_cell_angle_gamma 124.72731542
_space_group_name_H-M_... |
MoveAtomAction | 78f37f09-8216-45d1-83b1-a25e7bdffa61 | mp-1179444 | Move the atom at index 2 by [ 3.72 -2.09 1.919] angstrom in the cif file. | data_image0
_chemical_formula_structural Re4C4S4N8Cl12O8
_chemical_formula_sum "Re4 C4 S4 N8 Cl12 O8"
_cell_length_a 7.984612
_cell_length_b 11.601284
_cell_length_c 13.043783
_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 Re4C4S4N8Cl12O8
_chemical_formula_sum "Re4 C4 S4 N8 Cl12 O8"
_cell_length_a 7.984612
_cell_length_b 11.601284
_cell_length_c 13.043783
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAtomAction | 6dfb30a6-eb62-4f54-a413-c49942bfe81c | mp-757139 | Move the atom at index 25 by [ 3. -1.955 0.208] angstrom in the cif file. | data_image0
_chemical_formula_structural Li6TiMn3P6O24
_chemical_formula_sum "Li6 Ti1 Mn3 P6 O24"
_cell_length_a 8.620037
_cell_length_b 8.65660093
_cell_length_c 8.76631981
_cell_angle_alpha 61.44259836
_cell_angle_beta 61.38097025
_cell_angle_gamma 61.406440620000005
_s... | data_image0
_chemical_formula_structural Li6TiMn3P6O24
_chemical_formula_sum "Li6 Ti1 Mn3 P6 O24"
_cell_length_a 8.620037
_cell_length_b 8.65660093
_cell_length_c 8.76631981
_cell_angle_alpha 61.44259836
_cell_angle_beta 61.38097025
_cell_angle_gamma 61.406440620000005
_s... |
MoveAtomAction | 1c3761aa-6d78-4dbf-bfd2-04e300b5d3ea | mp-1176707 | Move the atom at index 14 by [ 1.731 1.059 -1.797] angstrom in the cif file. | data_image0
_chemical_formula_structural Li6Fe6F18
_chemical_formula_sum "Li6 Fe6 F18"
_cell_length_a 7.021042
_cell_length_b 7.236590739999999
_cell_length_c 7.87495474
_cell_angle_alpha 94.44735984
_cell_angle_beta 102.93816258
_cell_angle_gamma 90.0939888
_space_group_... | data_image0
_chemical_formula_structural Li6Fe6F18
_chemical_formula_sum "Li6 Fe6 F18"
_cell_length_a 7.021042
_cell_length_b 7.236590739999999
_cell_length_c 7.87495474
_cell_angle_alpha 94.44735984
_cell_angle_beta 102.93816258
_cell_angle_gamma 90.0939888
_space_group_... |
MoveAtomAction | 8e79a886-5cd9-451d-a172-fb6b8c59dc2e | mp-1209411 | Move the atom at index 6 by [-1.63 -0.759 -2.569] angstrom in the cif file. | data_image0
_chemical_formula_structural Pr8Si12Pd4
_chemical_formula_sum "Pr8 Si12 Pd4"
_cell_length_a 8.28889643
_cell_length_b 8.28889643
_cell_length_c 8.60635
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000341999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Pr8Si12Pd4
_chemical_formula_sum "Pr8 Si12 Pd4"
_cell_length_a 8.28889643
_cell_length_b 8.28889643
_cell_length_c 8.60635
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000341999998
_space_group_name_H-M_alt ... |
MoveAtomAction | 8c7f1442-d03c-4e0b-8cfd-fa8ffd846503 | mp-680506 | Move the atom at index 18 by [-1.864 1.261 -0.082] angstrom in the cif file. | data_image0
_chemical_formula_structural Pt8Cl32
_chemical_formula_sum "Pt8 Cl32"
_cell_length_a 11.484831
_cell_length_b 11.484831
_cell_length_c 11.484831
_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 Pt8Cl32
_chemical_formula_sum "Pt8 Cl32"
_cell_length_a 11.484831
_cell_length_b 11.484831
_cell_length_c 11.484831
_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 | 6e51f254-b1f3-412b-90b4-f1975a27b706 | mp-5169 | Move the atom at index 14 by [2.84 0.863 0.973] angstrom in the cif file. | data_image0
_chemical_formula_structural Cu8P4O18
_chemical_formula_sum "Cu8 P4 O18"
_cell_length_a 6.26249263
_cell_length_b 7.53373228
_cell_length_c 8.01003258
_cell_angle_alpha 99.32326044
_cell_angle_beta 112.25526268
_cell_angle_gamma 97.98631152
_space_group_name_H... | data_image0
_chemical_formula_structural Cu8P4O18
_chemical_formula_sum "Cu8 P4 O18"
_cell_length_a 6.26249263
_cell_length_b 7.53373228
_cell_length_c 8.01003258
_cell_angle_alpha 99.32326044
_cell_angle_beta 112.25526268
_cell_angle_gamma 97.98631152
_space_group_name_H... |
MoveAtomAction | ac1a0bc9-026d-4949-a174-3ee7676c27f3 | mp-6632 | Move the atom at index 2 by [-2.659 1.232 0.848] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca5B3O9F
_chemical_formula_sum "Ca5 B3 O9 F1"
_cell_length_a 9.00706173
_cell_length_b 9.00706173
_cell_length_c 3.53629464
_cell_angle_alpha 85.20363236999998
_cell_angle_beta 85.20363236999998
_cell_angle_gamma 126.24321597
_spac... | data_image0
_chemical_formula_structural Ca5B3O9F
_chemical_formula_sum "Ca5 B3 O9 F1"
_cell_length_a 9.00706173
_cell_length_b 9.00706173
_cell_length_c 3.53629464
_cell_angle_alpha 85.20363236999998
_cell_angle_beta 85.20363236999998
_cell_angle_gamma 126.24321597
_spac... |
MoveAtomAction | f1ed0450-d07b-4e9a-8d66-9c9d4e26e38c | mp-1356129 | Move the atom at index 16 by [-2.312 3.715 -3.171] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe16O24
_chemical_formula_sum "Fe16 O24"
_cell_length_a 8.23347377
_cell_length_b 8.23347377
_cell_length_c 9.492212840000002
_cell_angle_alpha 54.80432635
_cell_angle_beta 54.80432635
_cell_angle_gamma 70.17763754
_space_group_nam... | data_image0
_chemical_formula_structural Fe16O24
_chemical_formula_sum "Fe16 O24"
_cell_length_a 8.23347377
_cell_length_b 8.23347377
_cell_length_c 9.492212840000002
_cell_angle_alpha 54.80432635
_cell_angle_beta 54.80432635
_cell_angle_gamma 70.17763754
_space_group_nam... |
MoveAtomAction | 140680a4-ad3e-4c65-bcb6-8570636cd18d | mp-1234180 | Move the atom at index 20 by [ 2.149 3.136 -1.8 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2MgZn2Sn2P4O16
_chemical_formula_sum "Sr2 Mg1 Zn2 Sn2 P4 O16"
_cell_length_a 5.78146478
_cell_length_b 7.69389385
_cell_length_c 9.90764584
_cell_angle_alpha 112.42220027
_cell_angle_beta 98.9634139
_cell_angle_gamma 94.8287487
_... | data_image0
_chemical_formula_structural Sr2MgZn2Sn2P4O16
_chemical_formula_sum "Sr2 Mg1 Zn2 Sn2 P4 O16"
_cell_length_a 5.78146478
_cell_length_b 7.69389385
_cell_length_c 9.90764584
_cell_angle_alpha 112.42220027
_cell_angle_beta 98.9634139
_cell_angle_gamma 94.8287487
_... |
MoveAtomAction | fc8c9fa3-9483-4aa0-9bbf-3fc84c6d1dfb | mp-2219373 | Move the atom at index 2 by [ 1.667 -1.448 -0.677] angstrom in the cif file. | data_image0
_chemical_formula_structural MgFe2Co2O8
_chemical_formula_sum "Mg1 Fe2 Co2 O8"
_cell_length_a 5.36442764
_cell_length_b 5.770939509999999
_cell_length_c 4.87736258
_cell_angle_alpha 96.21295982
_cell_angle_beta 85.29789048
_cell_angle_gamma 104.97687678
_space... | data_image0
_chemical_formula_structural MgFe2Co2O8
_chemical_formula_sum "Mg1 Fe2 Co2 O8"
_cell_length_a 5.36442764
_cell_length_b 5.770939509999999
_cell_length_c 4.87736258
_cell_angle_alpha 96.21295982
_cell_angle_beta 85.29789048
_cell_angle_gamma 104.97687678
_space... |
MoveAtomAction | 7a1bca1d-9f86-48d7-ac40-fd64562e3e96 | mp-849387 | Move the atom at index 9 by [-0.289 -2.73 -0.451] angstrom in the cif file. | data_image0
_chemical_formula_structural Cu6OF11
_chemical_formula_sum "Cu6 O1 F11"
_cell_length_a 3.19079291
_cell_length_b 13.70274985
_cell_length_c 4.57558502
_cell_angle_alpha 91.14804451000002
_cell_angle_beta 84.64664774000002
_cell_angle_gamma 90.962296
_space_gro... | data_image0
_chemical_formula_structural Cu6OF11
_chemical_formula_sum "Cu6 O1 F11"
_cell_length_a 3.19079291
_cell_length_b 13.70274985
_cell_length_c 4.57558502
_cell_angle_alpha 91.14804451000002
_cell_angle_beta 84.64664774000002
_cell_angle_gamma 90.962296
_space_gro... |
MoveAtomAction | 86fe6c3c-58f2-4b70-b0ff-8953d13fb0e3 | mp-773514 | Move the atom at index 1 by [-0.683 -1.111 -1.885] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Co4O12
_chemical_formula_sum "Li8 Co4 O12"
_cell_length_a 3.290481
_cell_length_b 8.204106
_cell_length_c 9.696948
_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 Li8Co4O12
_chemical_formula_sum "Li8 Co4 O12"
_cell_length_a 3.290481
_cell_length_b 8.204106
_cell_length_c 9.696948
_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... |
MoveAtomAction | 1e8df0e5-c856-4259-808d-175bcf3bee48 | mp-735027 | Move the atom at index 23 by [ 2.408 -0.34 -0.974] angstrom in the cif file. | data_image0
_chemical_formula_structural V4S8N4O36
_chemical_formula_sum "V4 S8 N4 O36"
_cell_length_a 5.053564
_cell_length_b 9.157803
_cell_length_c 17.42972
_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 V4S8N4O36
_chemical_formula_sum "V4 S8 N4 O36"
_cell_length_a 5.053564
_cell_length_b 9.157803
_cell_length_c 17.42972
_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... |
MoveAtomAction | d9afd223-e23d-4d54-8497-ec78393e55b4 | mp-18753 | Move the atom at index 3 by [-0.894 -0.937 -0.95 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Na3MoO3F3
_chemical_formula_sum "Na3 Mo1 O3 F3"
_cell_length_a 5.80614613
_cell_length_b 5.80614595
_cell_length_c 5.80614606
_cell_angle_alpha 57.29251827000001
_cell_angle_beta 57.29251842000001
_cell_angle_gamma 57.2925149
_spac... | data_image0
_chemical_formula_structural Na3MoO3F3
_chemical_formula_sum "Na3 Mo1 O3 F3"
_cell_length_a 5.80614613
_cell_length_b 5.80614595
_cell_length_c 5.80614606
_cell_angle_alpha 57.29251827000001
_cell_angle_beta 57.29251842000001
_cell_angle_gamma 57.2925149
_spac... |
MoveAtomAction | 34da3a1b-36b8-46eb-a8ce-a95ae6730c32 | mp-2231666 | Move the atom at index 2 by [ 1.473 1.108 -0.273] angstrom in the cif file. | data_image0
_chemical_formula_structural MgTiMnV4O12
_chemical_formula_sum "Mg1 Ti1 Mn1 V4 O12"
_cell_length_a 7.20376509
_cell_length_b 7.20367883
_cell_length_c 5.62995181
_cell_angle_alpha 79.42523223
_cell_angle_beta 100.57141359
_cell_angle_gamma 99.07126477999999
_s... | data_image0
_chemical_formula_structural MgTiMnV4O12
_chemical_formula_sum "Mg1 Ti1 Mn1 V4 O12"
_cell_length_a 7.20376509
_cell_length_b 7.20367883
_cell_length_c 5.62995181
_cell_angle_alpha 79.42523223
_cell_angle_beta 100.57141359
_cell_angle_gamma 99.07126477999999
_s... |
MoveAtomAction | dc83a99c-6eb5-4bdb-8375-be5c684e26b4 | mp-1191291 | Move the atom at index 18 by [ 0.339 -0.563 -2.109] angstrom in the cif file. | data_image0
_chemical_formula_structural Hg4S2Br8N4O6
_chemical_formula_sum "Hg4 S2 Br8 N4 O6"
_cell_length_a 7.289171
_cell_length_b 10.390601
_cell_length_c 11.31073655
_cell_angle_alpha 83.38940245
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Hg4S2Br8N4O6
_chemical_formula_sum "Hg4 S2 Br8 N4 O6"
_cell_length_a 7.289171
_cell_length_b 10.390601
_cell_length_c 11.31073655
_cell_angle_alpha 83.38940245
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAtomAction | 1dffcf3f-77cf-4717-891b-e747177b8b52 | mp-1022967 | Move the atom at index 4 by [-1.323 -2.485 -0.985] angstrom in the cif file. | data_image0
_chemical_formula_structural Y2Mg12Fe2
_chemical_formula_sum "Y2 Mg12 Fe2"
_cell_length_a 5.012848
_cell_length_b 5.929416
_cell_length_c 11.597164
_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 Y2Mg12Fe2
_chemical_formula_sum "Y2 Mg12 Fe2"
_cell_length_a 5.012848
_cell_length_b 5.929416
_cell_length_c 11.597164
_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... |
MoveAtomAction | 6878a071-c4e2-4c06-b7c4-7d9da10f5375 | mp-758700 | Move the atom at index 30 by [-3.472 0.267 -0.201] angstrom in the cif file. | data_image0
_chemical_formula_structural Li6Mn12O24
_chemical_formula_sum "Li6 Mn12 O24"
_cell_length_a 6.634875
_cell_length_b 6.647734319999999
_cell_length_c 11.002615149999999
_cell_angle_alpha 94.0771806
_cell_angle_beta 105.88685995
_cell_angle_gamma 98.5352459800000... | data_image0
_chemical_formula_structural Li6Mn12O24
_chemical_formula_sum "Li6 Mn12 O24"
_cell_length_a 6.634875
_cell_length_b 6.647734319999999
_cell_length_c 11.002615149999999
_cell_angle_alpha 94.0771806
_cell_angle_beta 105.88685995
_cell_angle_gamma 98.5352459800000... |
MoveAtomAction | 4669cff4-6711-4d43-ac69-bfbd20f3709b | mp-1573889 | Move the atom at index 5 by [-2.648 0.384 -2.784] angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Fe4O12
_chemical_formula_sum "Na8 Fe4 O12"
_cell_length_a 5.39118514
_cell_length_b 10.9576286
_cell_length_c 5.39117953
_cell_angle_alpha 94.87793644999999
_cell_angle_beta 60.00086546000001
_cell_angle_gamma 85.12197187999999
... | data_image0
_chemical_formula_structural Na8Fe4O12
_chemical_formula_sum "Na8 Fe4 O12"
_cell_length_a 5.39118514
_cell_length_b 10.9576286
_cell_length_c 5.39117953
_cell_angle_alpha 94.87793644999999
_cell_angle_beta 60.00086546000001
_cell_angle_gamma 85.12197187999999
... |
MoveAtomAction | c3d9a28c-feb2-4028-9153-96df096a0d37 | mp-540538 | Move the atom at index 7 by [-0.657 -2.779 -0.134] angstrom in the cif file. | data_image0
_chemical_formula_structural Ga12Fe9
_chemical_formula_sum "Ga12 Fe9"
_cell_length_a 6.32560105
_cell_length_b 6.32560105
_cell_length_c 7.84111013
_cell_angle_alpha 77.2366533
_cell_angle_beta 77.2366533
_cell_angle_gamma 74.59180508
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Ga12Fe9
_chemical_formula_sum "Ga12 Fe9"
_cell_length_a 6.32560105
_cell_length_b 6.32560105
_cell_length_c 7.84111013
_cell_angle_alpha 77.2366533
_cell_angle_beta 77.2366533
_cell_angle_gamma 74.59180508
_space_group_name_H-M_alt... |
MoveAtomAction | 5bd6abc4-50e6-4af7-8ffd-1a5a65bd839d | mp-1228452 | Move the atom at index 18 by [ 2.799 -1.147 -0.499] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba3Ti3Fe3Bi2O18
_chemical_formula_sum "Ba3 Ti3 Fe3 Bi2 O18"
_cell_length_a 5.63716603
_cell_length_b 5.63716603
_cell_length_c 13.886766
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000038999998
_space_group... | data_image0
_chemical_formula_structural Ba3Ti3Fe3Bi2O18
_chemical_formula_sum "Ba3 Ti3 Fe3 Bi2 O18"
_cell_length_a 5.63716603
_cell_length_b 5.63716603
_cell_length_c 13.886766
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000038999998
_space_group... |
MoveAtomAction | a9af892b-8c3d-4452-aa7d-f18aad16112f | mp-1199527 | Move the atom at index 0 by [0.636 1.514 1.908] angstrom in the cif file. | data_image0
_chemical_formula_structural Pb4C4N4O24
_chemical_formula_sum "Pb4 C4 N4 O24"
_cell_length_a 8.083615
_cell_length_b 6.208673
_cell_length_c 10.264594690000001
_cell_angle_alpha 75.50864962
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Pb4C4N4O24
_chemical_formula_sum "Pb4 C4 N4 O24"
_cell_length_a 8.083615
_cell_length_b 6.208673
_cell_length_c 10.264594690000001
_cell_angle_alpha 75.50864962
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveAtomAction | 2d0a7b1a-e753-4ff7-a4b3-c457dc12795b | mp-1245440 | Move the atom at index 4 by [-0.734 -1.059 -0.281] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr8Ga4N12
_chemical_formula_sum "Zr8 Ga4 N12"
_cell_length_a 6.17836567
_cell_length_b 10.67217817
_cell_length_c 10.34272488
_cell_angle_alpha 89.99999736
_cell_angle_beta 96.26513422
_cell_angle_gamma 149.73154969
_space_group_na... | data_image0
_chemical_formula_structural Zr8Ga4N12
_chemical_formula_sum "Zr8 Ga4 N12"
_cell_length_a 6.17836567
_cell_length_b 10.67217817
_cell_length_c 10.34272488
_cell_angle_alpha 89.99999736
_cell_angle_beta 96.26513422
_cell_angle_gamma 149.73154969
_space_group_na... |
MoveAtomAction | 588ee378-4085-4737-a31b-aed13593423b | mp-30366 | Move the atom at index 0 by [-1.275 1.37 0.135] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca12Au4
_chemical_formula_sum "Ca12 Au4"
_cell_length_a 6.80979443
_cell_length_b 7.78140711
_cell_length_c 9.97863126
_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 Ca12Au4
_chemical_formula_sum "Ca12 Au4"
_cell_length_a 6.80979443
_cell_length_b 7.78140711
_cell_length_c 9.97863126
_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... |
MoveAtomAction | f4784112-8b34-4274-8117-54455017a65b | mp-1246526 | Move the atom at index 10 by [-0.439 -0.979 1.886] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr6Ru4N8
_chemical_formula_sum "Sr6 Ru4 N8"
_cell_length_a 7.27355484
_cell_length_b 8.99379695
_cell_length_c 5.64860678
_cell_angle_alpha 89.99999669
_cell_angle_beta 92.33764056
_cell_angle_gamma 128.18868448999999
_space_group_... | data_image0
_chemical_formula_structural Sr6Ru4N8
_chemical_formula_sum "Sr6 Ru4 N8"
_cell_length_a 7.27355484
_cell_length_b 8.99379695
_cell_length_c 5.64860678
_cell_angle_alpha 89.99999669
_cell_angle_beta 92.33764056
_cell_angle_gamma 128.18868448999999
_space_group_... |
MoveAtomAction | e24d961f-b876-4381-be33-758a5d26711a | mp-740718 | Move the atom at index 73 by [-0.344 -1.172 -1.733] angstrom in the cif file. | data_image0
_chemical_formula_structural Al8H48N16Cl24
_chemical_formula_sum "Al8 H48 N16 Cl24"
_cell_length_a 6.586838
_cell_length_b 11.505036
_cell_length_c 18.326803
_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 Al8H48N16Cl24
_chemical_formula_sum "Al8 H48 N16 Cl24"
_cell_length_a 6.586838
_cell_length_b 11.505036
_cell_length_c 18.326803
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveAtomAction | 65a15116-e323-4632-85d6-5606855f2a5d | mp-1198663 | Move the atom at index 33 by [2.59 0.464 2.701] angstrom in the cif file. | data_image0
_chemical_formula_structural K8Li4H24N12
_chemical_formula_sum "K8 Li4 H24 N12"
_cell_length_a 7.004138
_cell_length_b 7.004138
_cell_length_c 12.005835
_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 K8Li4H24N12
_chemical_formula_sum "K8 Li4 H24 N12"
_cell_length_a 7.004138
_cell_length_b 7.004138
_cell_length_c 12.005835
_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 | bbdd9f8e-75a1-46aa-b0ef-925bd7b5e866 | mp-554739 | Move the atom at index 47 by [-1.148 -0.261 0.926] angstrom in the cif file. | data_image0
_chemical_formula_structural C12I4Cl4O8F24
_chemical_formula_sum "C12 I4 Cl4 O8 F24"
_cell_length_a 8.01462
_cell_length_b 10.265198
_cell_length_c 11.32392698
_cell_angle_alpha 78.49942135
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural C12I4Cl4O8F24
_chemical_formula_sum "C12 I4 Cl4 O8 F24"
_cell_length_a 8.01462
_cell_length_b 10.265198
_cell_length_c 11.32392698
_cell_angle_alpha 78.49942135
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveAtomAction | bf06ddae-81ee-466b-b7aa-200acf01158d | mp-1112428 | Move the atom at index 3 by [-2.497 -0.008 -0.782] angstrom in the cif file. | data_image0
_chemical_formula_structural K2EuAuCl6
_chemical_formula_sum "K2 Eu1 Au1 Cl6"
_cell_length_a 7.631531
_cell_length_b 7.6315315
_cell_length_c 7.6315312099999995
_cell_angle_alpha 59.999999790000004
_cell_angle_beta 59.99999656
_cell_angle_gamma 59.99999782
_sp... | data_image0
_chemical_formula_structural K2EuAuCl6
_chemical_formula_sum "K2 Eu1 Au1 Cl6"
_cell_length_a 7.631531
_cell_length_b 7.6315315
_cell_length_c 7.6315312099999995
_cell_angle_alpha 59.999999790000004
_cell_angle_beta 59.99999656
_cell_angle_gamma 59.99999782
_sp... |
MoveAtomAction | 9281fc4b-971c-442e-8e69-ab8cf5dc8456 | mp-571242 | Move the atom at index 7 by [ 0.139 -0.953 -0.712] 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 | 732c5b33-8be7-447a-a5fc-a6e2dde05d5b | mp-1245133 | Move the atom at index 26 by [-0.424 2.331 1.168] angstrom in the cif file. | data_image0
_chemical_formula_structural Sn40O40
_chemical_formula_sum "Sn40 O40"
_cell_length_a 11.74637383
_cell_length_b 12.838853849999998
_cell_length_c 11.717428899999998
_cell_angle_alpha 89.04503959
_cell_angle_beta 92.05166865
_cell_angle_gamma 88.32496439999998
... | data_image0
_chemical_formula_structural Sn40O40
_chemical_formula_sum "Sn40 O40"
_cell_length_a 11.74637383
_cell_length_b 12.838853849999998
_cell_length_c 11.717428899999998
_cell_angle_alpha 89.04503959
_cell_angle_beta 92.05166865
_cell_angle_gamma 88.32496439999998
... |
MoveAtomAction | 25b0d581-fd6b-4ad7-abf2-81996deaa71e | mp-627575 | Move the atom at index 0 by [ 2.877 -2.152 0.129] angstrom in the cif file. | data_image0
_chemical_formula_structural K4Zr6CBr18
_chemical_formula_sum "K4 Zr6 C1 Br18"
_cell_length_a 10.24659448
_cell_length_b 10.41837033
_cell_length_c 10.51199309
_cell_angle_alpha 118.51662427
_cell_angle_beta 100.16129462
_cell_angle_gamma 103.98655482
_space_g... | data_image0
_chemical_formula_structural K4Zr6CBr18
_chemical_formula_sum "K4 Zr6 C1 Br18"
_cell_length_a 10.24659448
_cell_length_b 10.41837033
_cell_length_c 10.51199309
_cell_angle_alpha 118.51662427
_cell_angle_beta 100.16129462
_cell_angle_gamma 103.98655482
_space_g... |
MoveAtomAction | 9651ca14-4a5e-4417-a334-1a2b5a9ffc00 | mp-695373 | Move the atom at index 38 by [ 0.26 1.922 -0.206] angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Al11Si13Ag7O48
_chemical_formula_sum "Na4 Al11 Si13 Ag7 O48"
_cell_length_a 12.086726
_cell_length_b 12.455229320000003
_cell_length_c 12.79279253
_cell_angle_alpha 90.17142058
_cell_angle_beta 91.25661537
_cell_angle_gamma 90.04... | data_image0
_chemical_formula_structural Na4Al11Si13Ag7O48
_chemical_formula_sum "Na4 Al11 Si13 Ag7 O48"
_cell_length_a 12.086726
_cell_length_b 12.455229320000003
_cell_length_c 12.79279253
_cell_angle_alpha 90.17142058
_cell_angle_beta 91.25661537
_cell_angle_gamma 90.04... |
MoveAtomAction | 5b491044-3753-41c8-805e-c7f708132a8f | mp-1210947 | Move the atom at index 10 by [-1.232 2.028 -0.295] angstrom in the cif file. | 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 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... |
MoveAtomAction | a2a13625-814d-415a-9046-9b27baccef62 | mp-613620 | Move the atom at index 27 by [-2.763 2.342 -0.309] angstrom in the cif file. | data_image0
_chemical_formula_structural Rh16O24
_chemical_formula_sum "Rh16 O24"
_cell_length_a 5.16383549
_cell_length_b 5.4518602
_cell_length_c 14.75820022
_cell_angle_alpha 89.99988639
_cell_angle_beta 90.00004483
_cell_angle_gamma 89.99997548
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Rh16O24
_chemical_formula_sum "Rh16 O24"
_cell_length_a 5.16383549
_cell_length_b 5.4518602
_cell_length_c 14.75820022
_cell_angle_alpha 89.99988639
_cell_angle_beta 90.00004483
_cell_angle_gamma 89.99997548
_space_group_name_H-M_a... |
MoveAtomAction | c59a33cb-b1e7-4534-bd23-ac6af178d200 | mp-22575 | Move the atom at index 4 by [-2.78 1.812 -0.091] angstrom in the cif file. | data_image0
_chemical_formula_structural Sc12As8
_chemical_formula_sum "Sc12 As8"
_cell_length_a 3.83119668
_cell_length_b 10.43635929
_cell_length_c 10.33871181
_cell_angle_alpha 89.99998295
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Sc12As8
_chemical_formula_sum "Sc12 As8"
_cell_length_a 3.83119668
_cell_length_b 10.43635929
_cell_length_c 10.33871181
_cell_angle_alpha 89.99998295
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveAtomAction | 84709bec-8ac7-406a-8f14-e087ad70de5e | mp-1216434 | Move the atom at index 47 by [ 0.612 -0.183 0.411] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr8Ti2Pb10O30
_chemical_formula_sum "Zr8 Ti2 Pb10 O30"
_cell_length_a 5.88360107
_cell_length_b 5.95084711
_cell_length_c 24.281719929999998
_cell_angle_alpha 96.61879256
_cell_angle_beta 89.98413505000002
_cell_angle_gamma 119.6220... | data_image0
_chemical_formula_structural Zr8Ti2Pb10O30
_chemical_formula_sum "Zr8 Ti2 Pb10 O30"
_cell_length_a 5.88360107
_cell_length_b 5.95084711
_cell_length_c 24.281719929999998
_cell_angle_alpha 96.61879256
_cell_angle_beta 89.98413505000002
_cell_angle_gamma 119.6220... |
MoveAtomAction | 4137dc71-aad5-49e1-94bd-ea04a062bd31 | mp-554749 | Move the atom at index 2 by [ 1.179 1.384 -3.426] angstrom in the cif file. | data_image0
_chemical_formula_structural P18Ir6O54
_chemical_formula_sum "P18 Ir6 O54"
_cell_length_a 9.33263976
_cell_length_b 10.51496354
_cell_length_c 11.6246022
_cell_angle_alpha 113.40638887
_cell_angle_beta 109.84187317
_cell_angle_gamma 97.87824592
_space_group_na... | data_image0
_chemical_formula_structural P18Ir6O54
_chemical_formula_sum "P18 Ir6 O54"
_cell_length_a 9.33263976
_cell_length_b 10.51496354
_cell_length_c 11.6246022
_cell_angle_alpha 113.40638887
_cell_angle_beta 109.84187317
_cell_angle_gamma 97.87824592
_space_group_na... |
MoveAtomAction | 3372ff2f-d7ae-4632-9f10-eea00a55d5d0 | mp-542019 | Move the atom at index 10 by [1.955 3.558 0.696] angstrom in the cif file. | data_image0
_chemical_formula_structural Np10Ge6
_chemical_formula_sum "Np10 Ge6"
_cell_length_a 8.14251062
_cell_length_b 8.14251062
_cell_length_c 8.14251062
_cell_angle_alpha 95.58295889
_cell_angle_beta 95.58295889
_cell_angle_gamma 143.65143751
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Np10Ge6
_chemical_formula_sum "Np10 Ge6"
_cell_length_a 8.14251062
_cell_length_b 8.14251062
_cell_length_c 8.14251062
_cell_angle_alpha 95.58295889
_cell_angle_beta 95.58295889
_cell_angle_gamma 143.65143751
_space_group_name_H-M_... |
MoveAtomAction | bd7d64c0-7db3-46bb-b420-b7acc2edf6a8 | mp-1209789 | Move the atom at index 3 by [-0.626 0.01 -1.783] angstrom in the cif file. | data_image0
_chemical_formula_structural Sm4Rh6Pb19
_chemical_formula_sum "Sm4 Rh6 Pb19"
_cell_length_a 10.2691543
_cell_length_b 10.2691543
_cell_length_c 10.2691543
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_... | data_image0
_chemical_formula_structural Sm4Rh6Pb19
_chemical_formula_sum "Sm4 Rh6 Pb19"
_cell_length_a 10.2691543
_cell_length_b 10.2691543
_cell_length_c 10.2691543
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_... |
MoveAtomAction | 0c63fdc7-9866-44af-90e3-fafe7cbc51f5 | mp-625159 | Move the atom at index 13 by [ 0.02 -0.177 -1.066] angstrom in the cif file. | data_image0
_chemical_formula_structural H12Cl4O20
_chemical_formula_sum "H12 Cl4 O20"
_cell_length_a 5.597968
_cell_length_b 7.262629
_cell_length_c 9.024575
_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 H12Cl4O20
_chemical_formula_sum "H12 Cl4 O20"
_cell_length_a 5.597968
_cell_length_b 7.262629
_cell_length_c 9.024575
_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... |
MoveAtomAction | d3634bc9-ada5-4a0d-9631-91e6a21b2ead | mp-1523324 | Move the atom at index 2 by [-0.029 -0.798 0.977] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2MnSnO6
_chemical_formula_sum "Sr2 Mn1 Sn1 O6"
_cell_length_a 5.63969519
_cell_length_b 5.63969519
_cell_length_c 5.639695189999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999... | data_image0
_chemical_formula_structural Sr2MnSnO6
_chemical_formula_sum "Sr2 Mn1 Sn1 O6"
_cell_length_a 5.63969519
_cell_length_b 5.63969519
_cell_length_c 5.639695189999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999... |
MoveAtomAction | 75083e4c-2317-4809-adb0-e1c97e096213 | mp-560156 | Move the atom at index 22 by [-2.521 1.164 -3.057] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr4Tl4V4O16
_chemical_formula_sum "Sr4 Tl4 V4 O16"
_cell_length_a 5.955183
_cell_length_b 7.66787
_cell_length_c 10.189353
_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 Sr4Tl4V4O16
_chemical_formula_sum "Sr4 Tl4 V4 O16"
_cell_length_a 5.955183
_cell_length_b 7.66787
_cell_length_c 10.189353
_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 | c4408e87-e0e9-40f7-9ec8-524e84ae5fee | mp-33255 | Move the atom at index 24 by [-0.905 1.277 0.918] angstrom in the cif file. | data_image0
_chemical_formula_structural Ni15O16
_chemical_formula_sum "Ni15 O16"
_cell_length_a 10.69415359
_cell_length_b 10.69415359
_cell_length_c 10.6941532
_cell_angle_alpha 32.04801955
_cell_angle_beta 32.04801954999999
_cell_angle_gamma 32.04802247000001
_space_gr... | data_image0
_chemical_formula_structural Ni15O16
_chemical_formula_sum "Ni15 O16"
_cell_length_a 10.69415359
_cell_length_b 10.69415359
_cell_length_c 10.6941532
_cell_angle_alpha 32.04801955
_cell_angle_beta 32.04801954999999
_cell_angle_gamma 32.04802247000001
_space_gr... |
MoveAtomAction | c17e60a1-668d-496f-a5ef-d17bde83fa2d | mp-752419 | Move the atom at index 7 by [ 1.209 -2.792 0.092] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr4Ca4I16
_chemical_formula_sum "Sr4 Ca4 I16"
_cell_length_a 10.902408
_cell_length_b 9.831828
_cell_length_c 11.36168132
_cell_angle_alpha 56.41853334
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Sr4Ca4I16
_chemical_formula_sum "Sr4 Ca4 I16"
_cell_length_a 10.902408
_cell_length_b 9.831828
_cell_length_c 11.36168132
_cell_angle_alpha 56.41853334
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveAtomAction | e60918dd-e9e8-44ff-b198-f08621bdaae6 | mp-570506 | Move the atom at index 4 by [ 1.137 -1.141 -2.021] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr4I8
_chemical_formula_sum "Zr4 I8"
_cell_length_a 3.77437288
_cell_length_b 6.91824678
_cell_length_c 15.61077985
_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 Zr4I8
_chemical_formula_sum "Zr4 I8"
_cell_length_a 3.77437288
_cell_length_b 6.91824678
_cell_length_c 15.61077985
_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 | cddec2a1-34b8-4d03-8cfd-f1e21baf630f | mp-780431 | Move the atom at index 21 by [-2.643 2.829 0.463] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Fe8P8H16O40
_chemical_formula_sum "Li8 Fe8 P8 H16 O40"
_cell_length_a 5.156879
_cell_length_b 10.022673
_cell_length_c 16.99323
_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 Li8Fe8P8H16O40
_chemical_formula_sum "Li8 Fe8 P8 H16 O40"
_cell_length_a 5.156879
_cell_length_b 10.022673
_cell_length_c 16.99323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveAtomAction | a5af0cec-f6a5-4a43-a9ae-723838524d64 | mp-1225649 | Move the atom at index 11 by [-3.413 -0.93 0.673] angstrom in the cif file. | data_image0
_chemical_formula_structural Er4Al4Fe4
_chemical_formula_sum "Er4 Al4 Fe4"
_cell_length_a 5.31253061
_cell_length_b 5.31253061
_cell_length_c 8.71620123
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.32671753999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Er4Al4Fe4
_chemical_formula_sum "Er4 Al4 Fe4"
_cell_length_a 5.31253061
_cell_length_b 5.31253061
_cell_length_c 8.71620123
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.32671753999999
_space_group_name_H-M_alt... |
MoveAtomAction | 87970f83-4300-48ca-9936-6c75e038a932 | mp-1306670 | Move the atom at index 10 by [-0.756 1.093 1.26 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li6Ti2Ni6O16
_chemical_formula_sum "Li6 Ti2 Ni6 O16"
_cell_length_a 5.8156342
_cell_length_b 5.870601
_cell_length_c 10.035355149999997
_cell_angle_alpha 88.64157279999999
_cell_angle_beta 106.33273585
_cell_angle_gamma 118.96438166... | data_image0
_chemical_formula_structural Li6Ti2Ni6O16
_chemical_formula_sum "Li6 Ti2 Ni6 O16"
_cell_length_a 5.8156342
_cell_length_b 5.870601
_cell_length_c 10.035355149999997
_cell_angle_alpha 88.64157279999999
_cell_angle_beta 106.33273585
_cell_angle_gamma 118.96438166... |
MoveAtomAction | bbe372e0-9014-480f-9884-f3d6d8de1fe0 | mp-1027965 | Move the atom at index 9 by [ 1.3 1.2 -0.773] angstrom in the cif file. | data_image0
_chemical_formula_structural YMg14Ga
_chemical_formula_sum "Y1 Mg14 Ga1"
_cell_length_a 6.4783171
_cell_length_b 6.2636730499999995
_cell_length_c 10.37809344
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.90990617
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural YMg14Ga
_chemical_formula_sum "Y1 Mg14 Ga1"
_cell_length_a 6.4783171
_cell_length_b 6.2636730499999995
_cell_length_c 10.37809344
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.90990617
_space_group_name_H-M_alt... |
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