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 | ae5610c7-0116-4b79-8f1a-9eeb16c0a690 | mp-1041312 | Move the atom at index 2 by [ 1.047 -1.232 -0.339] angstrom in the cif file. | data_image0
_chemical_formula_structural BaMn4O8
_chemical_formula_sum "Ba1 Mn4 O8"
_cell_length_a 5.64584012
_cell_length_b 5.64584012
_cell_length_c 7.772888
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000136000001
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural BaMn4O8
_chemical_formula_sum "Ba1 Mn4 O8"
_cell_length_a 5.64584012
_cell_length_b 5.64584012
_cell_length_c 7.772888
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000136000001
_space_group_name_H-M_alt "... |
MoveAtomAction | 7251ff1d-f980-460e-bd27-5676f7188045 | mp-1027815 | Move the atom at index 10 by [ 2.831 2.81 -3.244] angstrom in the cif file. | data_image0
_chemical_formula_structural KMg14Co
_chemical_formula_sum "K1 Mg14 Co1"
_cell_length_a 6.33349415
_cell_length_b 6.33349365
_cell_length_c 10.48663987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000266
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural KMg14Co
_chemical_formula_sum "K1 Mg14 Co1"
_cell_length_a 6.33349415
_cell_length_b 6.33349365
_cell_length_c 10.48663987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000266
_space_group_name_H-M_alt "P ... |
MoveAtomAction | c5b93b70-04e0-4fd0-8709-f3386a8638cb | mp-1188970 | Move the atom at index 12 by [ 0.45 -0.528 1.066] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2CdFeC6N6
_chemical_formula_sum "Cs2 Cd1 Fe1 C6 N6"
_cell_length_a 7.63005128
_cell_length_b 7.630051280000001
_cell_length_c 7.630051280000001
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Cs2CdFeC6N6
_chemical_formula_sum "Cs2 Cd1 Fe1 C6 N6"
_cell_length_a 7.63005128
_cell_length_b 7.630051280000001
_cell_length_c 7.630051280000001
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma ... |
MoveAtomAction | e4b545a4-e718-4de7-a7e5-99c42457c4fa | mp-1216279 | Move the atom at index 4 by [-0.749 1.845 -0.453] angstrom in the cif file. | data_image0
_chemical_formula_structural Y6Ga17Pt5
_chemical_formula_sum "Y6 Ga17 Pt5"
_cell_length_a 8.11900182
_cell_length_b 8.11900182
_cell_length_c 15.63976875
_cell_angle_alpha 77.19919537
_cell_angle_beta 77.19919537
_cell_angle_gamma 31.01343326
_space_group_name... | data_image0
_chemical_formula_structural Y6Ga17Pt5
_chemical_formula_sum "Y6 Ga17 Pt5"
_cell_length_a 8.11900182
_cell_length_b 8.11900182
_cell_length_c 15.63976875
_cell_angle_alpha 77.19919537
_cell_angle_beta 77.19919537
_cell_angle_gamma 31.01343326
_space_group_name... |
MoveAtomAction | 582711f3-63d5-4f75-9cdc-be2e10811b5f | mp-1247128 | Move the atom at index 4 by [-1.423 2.46 -1.68 ] angstrom in the cif file. | data_image0
_chemical_formula_structural SmMg2Cr3S8
_chemical_formula_sum "Sm1 Mg2 Cr3 S8"
_cell_length_a 7.47872266
_cell_length_b 7.49320347
_cell_length_c 7.493654620000001
_cell_angle_alpha 58.93402922
_cell_angle_beta 58.83723436
_cell_angle_gamma 58.83750572999999
_... | data_image0
_chemical_formula_structural SmMg2Cr3S8
_chemical_formula_sum "Sm1 Mg2 Cr3 S8"
_cell_length_a 7.47872266
_cell_length_b 7.49320347
_cell_length_c 7.493654620000001
_cell_angle_alpha 58.93402922
_cell_angle_beta 58.83723436
_cell_angle_gamma 58.83750572999999
_... |
MoveAtomAction | 469570ca-1b65-4c0f-a72c-9de886a85153 | mp-1349418 | Move the atom at index 3 by [ 0.154 -0.717 -2.966] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4Mo12O28
_chemical_formula_sum "Mg4 Mo12 O28"
_cell_length_a 5.765112
_cell_length_b 9.952709
_cell_length_c 11.030421
_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 Mg4Mo12O28
_chemical_formula_sum "Mg4 Mo12 O28"
_cell_length_a 5.765112
_cell_length_b 9.952709
_cell_length_c 11.030421
_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 | d079cf22-0f94-4ab8-838c-a128b6d9568c | mp-1222315 | Move the atom at index 8 by [0.622 3.366 2.265] angstrom in the cif file. | data_image0
_chemical_formula_structural LiLaTi2O6
_chemical_formula_sum "Li1 La1 Ti2 O6"
_cell_length_a 5.50131621
_cell_length_b 5.50131621
_cell_length_c 5.50131621
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural LiLaTi2O6
_chemical_formula_sum "Li1 La1 Ti2 O6"
_cell_length_a 5.50131621
_cell_length_b 5.50131621
_cell_length_c 5.50131621
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... |
MoveAtomAction | 13c7fd9a-f0e8-411d-ab71-0284676c9bda | mp-556015 | Move the atom at index 16 by [2.857 0.551 2.966] angstrom in the cif file. | data_image0
_chemical_formula_structural Dy18Sb10O10
_chemical_formula_sum "Dy18 Sb10 O10"
_cell_length_a 9.875127
_cell_length_b 9.875127
_cell_length_c 8.87761
_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 Dy18Sb10O10
_chemical_formula_sum "Dy18 Sb10 O10"
_cell_length_a 9.875127
_cell_length_b 9.875127
_cell_length_c 8.87761
_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 | c3718161-3259-40b9-90b1-0afdcc83eea4 | mp-730460 | Move the atom at index 27 by [0.368 2.542 0.036] angstrom in the cif file. | data_image0
_chemical_formula_structural Na10H6C8O24
_chemical_formula_sum "Na10 H6 C8 O24"
_cell_length_a 3.40453221
_cell_length_b 9.99076164
_cell_length_c 15.456632970000001
_cell_angle_alpha 107.73262794999998
_cell_angle_beta 95.45983126000002
_cell_angle_gamma 94.88... | data_image0
_chemical_formula_structural Na10H6C8O24
_chemical_formula_sum "Na10 H6 C8 O24"
_cell_length_a 3.40453221
_cell_length_b 9.99076164
_cell_length_c 15.456632970000001
_cell_angle_alpha 107.73262794999998
_cell_angle_beta 95.45983126000002
_cell_angle_gamma 94.88... |
MoveAtomAction | 8fdf7b2d-4e9a-4ca1-aed8-486d7761cf81 | mp-19484 | Move the atom at index 32 by [ 4.637 -1.612 0.072] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Ca4V8O28
_chemical_formula_sum "Ba4 Ca4 V8 O28"
_cell_length_a 5.871943
_cell_length_b 7.615046
_cell_length_c 15.713467
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Ba4Ca4V8O28
_chemical_formula_sum "Ba4 Ca4 V8 O28"
_cell_length_a 5.871943
_cell_length_b 7.615046
_cell_length_c 15.713467
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveAtomAction | a8f93024-4836-46dc-ad33-292fb49c1c62 | mp-1376216 | Move the atom at index 18 by [ 1.726 -1.445 0.709] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4V8O16
_chemical_formula_sum "Mg4 V8 O16"
_cell_length_a 2.964384
_cell_length_b 9.169554
_cell_length_c 10.559834
_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 Mg4V8O16
_chemical_formula_sum "Mg4 V8 O16"
_cell_length_a 2.964384
_cell_length_b 9.169554
_cell_length_c 10.559834
_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 | 409967e7-06fe-42f0-b99b-8f67465fc135 | mp-1045114 | Move the atom at index 24 by [-3.87 -0.199 -1.435] angstrom in the cif file. | data_image0
_chemical_formula_structural Al2V6Se4Cl2O16
_chemical_formula_sum "Al2 V6 Se4 Cl2 O16"
_cell_length_a 6.64995
_cell_length_b 8.00421245
_cell_length_c 9.98110253
_cell_angle_alpha 90.95969209
_cell_angle_beta 104.33704289
_cell_angle_gamma 90.33209238
_space_g... | data_image0
_chemical_formula_structural Al2V6Se4Cl2O16
_chemical_formula_sum "Al2 V6 Se4 Cl2 O16"
_cell_length_a 6.64995
_cell_length_b 8.00421245
_cell_length_c 9.98110253
_cell_angle_alpha 90.95969209
_cell_angle_beta 104.33704289
_cell_angle_gamma 90.33209238
_space_g... |
MoveAtomAction | 03b59399-3f1f-44e0-b919-ed8b78bf6ca9 | mp-758643 | Move the atom at index 4 by [ 0.318 0.382 -1.448] angstrom in the cif file. | data_image0
_chemical_formula_structural V4C8O24
_chemical_formula_sum "V4 C8 O24"
_cell_length_a 7.134126
_cell_length_b 7.605943
_cell_length_c 9.237958
_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 V4C8O24
_chemical_formula_sum "V4 C8 O24"
_cell_length_a 7.134126
_cell_length_b 7.605943
_cell_length_c 9.237958
_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 | afe7045a-12fa-4ce4-b405-f20d3245b011 | mp-6606 | Move the atom at index 13 by [ 1.316 0.923 -0.908] 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 | 088d1a5d-3221-47f6-9e7f-12f9d2bc4c5f | mp-1245698 | Move the atom at index 1 by [2.216 1.79 0.918] angstrom in the cif file. | data_image0
_chemical_formula_structural Zn4Cr4N8
_chemical_formula_sum "Zn4 Cr4 N8"
_cell_length_a 5.545738
_cell_length_b 6.374528
_cell_length_c 5.232644
_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 Zn4Cr4N8
_chemical_formula_sum "Zn4 Cr4 N8"
_cell_length_a 5.545738
_cell_length_b 6.374528
_cell_length_c 5.232644
_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 | 846ac566-7d9b-49f9-ac6b-7a8026438ed9 | mp-625941 | Move the atom at index 5 by [ 0.649 -3.249 5.48 ] angstrom in the cif file. | data_image0
_chemical_formula_structural TeH6O6
_chemical_formula_sum "Te1 H6 O6"
_cell_length_a 5.91528034
_cell_length_b 5.790779660000001
_cell_length_c 5.37207892
_cell_angle_alpha 63.869127299999995
_cell_angle_beta 61.509273349999994
_cell_angle_gamma 54.621599350000... | data_image0
_chemical_formula_structural TeH6O6
_chemical_formula_sum "Te1 H6 O6"
_cell_length_a 5.91528034
_cell_length_b 5.790779660000001
_cell_length_c 5.37207892
_cell_angle_alpha 63.869127299999995
_cell_angle_beta 61.509273349999994
_cell_angle_gamma 54.621599350000... |
MoveAtomAction | 26d54bc7-d449-41c4-82ba-5880f1b24054 | mp-777836 | Move the atom at index 27 by [-1.066 1.018 -1.198] angstrom in the cif file. | data_image0
_chemical_formula_structural Li14Co13O28
_chemical_formula_sum "Li14 Co13 O28"
_cell_length_a 7.499182
_cell_length_b 8.05935355
_cell_length_c 8.55269923
_cell_angle_alpha 102.77987539999998
_cell_angle_beta 104.52860817999999
_cell_angle_gamma 105.43692013
_... | data_image0
_chemical_formula_structural Li14Co13O28
_chemical_formula_sum "Li14 Co13 O28"
_cell_length_a 7.499182
_cell_length_b 8.05935355
_cell_length_c 8.55269923
_cell_angle_alpha 102.77987539999998
_cell_angle_beta 104.52860817999999
_cell_angle_gamma 105.43692013
_... |
MoveAtomAction | 411784bd-4845-43d0-9cbd-6145059f8855 | mp-570405 | Move the atom at index 44 by [ 0.066 -3.685 -3.323] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti4Hg24P16Cl28
_chemical_formula_sum "Ti4 Hg24 P16 Cl28"
_cell_length_a 12.046794
_cell_length_b 12.046794
_cell_length_c 12.046794
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ti4Hg24P16Cl28
_chemical_formula_sum "Ti4 Hg24 P16 Cl28"
_cell_length_a 12.046794
_cell_length_b 12.046794
_cell_length_c 12.046794
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveAtomAction | 1c2cec34-fed5-4192-a96e-98d9a733f276 | mp-1111469 | Move the atom at index 1 by [ 3.967 -4.235 -1.198] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2AgAuCl6
_chemical_formula_sum "Rb2 Ag1 Au1 Cl6"
_cell_length_a 7.30836578
_cell_length_b 7.30836578
_cell_length_c 7.30836578
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Rb2AgAuCl6
_chemical_formula_sum "Rb2 Ag1 Au1 Cl6"
_cell_length_a 7.30836578
_cell_length_b 7.30836578
_cell_length_c 7.30836578
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... |
MoveAtomAction | 9ce829f2-e2ba-4397-afc6-964be93bf0aa | mp-1202046 | Move the atom at index 12 by [-0.487 -1.729 5.699] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr8P4I4O16
_chemical_formula_sum "Sr8 P4 I4 O16"
_cell_length_a 9.019828
_cell_length_b 8.540954
_cell_length_c 9.22496142
_cell_angle_alpha 67.48799209
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Sr8P4I4O16
_chemical_formula_sum "Sr8 P4 I4 O16"
_cell_length_a 9.019828
_cell_length_b 8.540954
_cell_length_c 9.22496142
_cell_angle_alpha 67.48799209
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveAtomAction | 8416e036-4565-406f-a280-de9219ac00b7 | mp-1203429 | Move the atom at index 8 by [-0.211 -0.895 -0.942] angstrom in the cif file. | data_image0
_chemical_formula_structural Tm8B24Os4
_chemical_formula_sum "Tm8 B24 Os4"
_cell_length_a 3.61183316
_cell_length_b 9.05426635
_cell_length_c 11.41713141
_cell_angle_alpha 90.00000214
_cell_angle_beta 90.00000165
_cell_angle_gamma 89.99999971
_space_group_name... | data_image0
_chemical_formula_structural Tm8B24Os4
_chemical_formula_sum "Tm8 B24 Os4"
_cell_length_a 3.61183316
_cell_length_b 9.05426635
_cell_length_c 11.41713141
_cell_angle_alpha 90.00000214
_cell_angle_beta 90.00000165
_cell_angle_gamma 89.99999971
_space_group_name... |
MoveAtomAction | 9003f335-f06c-45e3-9e57-6d506a893b04 | mp-1074916 | Move the atom at index 0 by [-4.577 -0.519 1.414] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14Si8
_chemical_formula_sum "Mg14 Si8"
_cell_length_a 4.510152
_cell_length_b 6.18780927
_cell_length_c 15.49498043
_cell_angle_alpha 93.37384975000002
_cell_angle_beta 91.72385019000001
_cell_angle_gamma 90.04907515
_space_group... | data_image0
_chemical_formula_structural Mg14Si8
_chemical_formula_sum "Mg14 Si8"
_cell_length_a 4.510152
_cell_length_b 6.18780927
_cell_length_c 15.49498043
_cell_angle_alpha 93.37384975000002
_cell_angle_beta 91.72385019000001
_cell_angle_gamma 90.04907515
_space_group... |
MoveAtomAction | 583b5d15-366e-4b81-b84b-302709533ca1 | mp-1233723 | Move the atom at index 8 by [-1.085 -2.324 -0.588] angstrom in the cif file. | data_image0
_chemical_formula_structural MgAlBi12O20
_chemical_formula_sum "Mg1 Al1 Bi12 O20"
_cell_length_a 8.99253013
_cell_length_b 8.98975872
_cell_length_c 8.98900456
_cell_angle_alpha 108.47524051
_cell_angle_beta 108.55081522000002
_cell_angle_gamma 108.60741344
_s... | data_image0
_chemical_formula_structural MgAlBi12O20
_chemical_formula_sum "Mg1 Al1 Bi12 O20"
_cell_length_a 8.99253013
_cell_length_b 8.98975872
_cell_length_c 8.98900456
_cell_angle_alpha 108.47524051
_cell_angle_beta 108.55081522000002
_cell_angle_gamma 108.60741344
_s... |
MoveAtomAction | a1972f15-0c9d-44c3-b0d5-8c750cbca5e7 | mp-703316 | Move the atom at index 35 by [-2.083 -0.309 0.758] angstrom in the cif file. | data_image0
_chemical_formula_structural La4Mg8H28
_chemical_formula_sum "La4 Mg8 H28"
_cell_length_a 6.33773359
_cell_length_b 6.33773359
_cell_length_c 9.5362298
_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 La4Mg8H28
_chemical_formula_sum "La4 Mg8 H28"
_cell_length_a 6.33773359
_cell_length_b 6.33773359
_cell_length_c 9.5362298
_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 | 79fcb710-4d7f-4fe8-a7b0-5c4896ba2d71 | mp-1202826 | Move the atom at index 25 by [2.845 0.732 0.647] angstrom in the cif file. | data_image0
_chemical_formula_structural Gd8U4S20
_chemical_formula_sum "Gd8 U4 S20"
_cell_length_a 7.4439669
_cell_length_b 8.00870386
_cell_length_c 11.77541072
_cell_angle_alpha 89.99970638999999
_cell_angle_beta 89.99995996999999
_cell_angle_gamma 89.99990333
_space_g... | data_image0
_chemical_formula_structural Gd8U4S20
_chemical_formula_sum "Gd8 U4 S20"
_cell_length_a 7.4439669
_cell_length_b 8.00870386
_cell_length_c 11.77541072
_cell_angle_alpha 89.99970638999999
_cell_angle_beta 89.99995996999999
_cell_angle_gamma 89.99990333
_space_g... |
MoveAtomAction | e71c0c2b-b733-4d4a-a4a1-d0f9aa6f5c97 | mp-1210721 | Move the atom at index 7 by [ 0.039 -0.691 0.664] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd4Cr8O8
_chemical_formula_sum "Nd4 Cr8 O8"
_cell_length_a 8.0100726
_cell_length_b 8.010072599999999
_cell_length_c 8.0100726
_cell_angle_alpha 112.69276483000002
_cell_angle_beta 112.69276483
_cell_angle_gamma 103.20412211
_space... | data_image0
_chemical_formula_structural Nd4Cr8O8
_chemical_formula_sum "Nd4 Cr8 O8"
_cell_length_a 8.0100726
_cell_length_b 8.010072599999999
_cell_length_c 8.0100726
_cell_angle_alpha 112.69276483000002
_cell_angle_beta 112.69276483
_cell_angle_gamma 103.20412211
_space... |
MoveAtomAction | 0d571cab-89c9-466c-bf57-fbd5d3df8f68 | mp-866810 | Move the atom at index 10 by [0.76 1.586 1.463] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Sn2S8
_chemical_formula_sum "Ca4 Sn2 S8"
_cell_length_a 6.18460896
_cell_length_b 6.18460896
_cell_length_c 9.736881
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 110.59572336999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ca4Sn2S8
_chemical_formula_sum "Ca4 Sn2 S8"
_cell_length_a 6.18460896
_cell_length_b 6.18460896
_cell_length_c 9.736881
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 110.59572336999999
_space_group_name_H-M_alt ... |
MoveAtomAction | 4511a224-7c90-4b74-b23c-cf8b303fa46f | mp-1104734 | Move the atom at index 12 by [ 1.996 2.345 -0.33 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Te2Br12
_chemical_formula_sum "Te2 Br12"
_cell_length_a 7.428041
_cell_length_b 7.428041
_cell_length_c 11.0806
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_... | data_image0
_chemical_formula_structural Te2Br12
_chemical_formula_sum "Te2 Br12"
_cell_length_a 7.428041
_cell_length_b 7.428041
_cell_length_c 11.0806
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_... |
MoveAtomAction | 76d9fc33-2eac-458e-a504-f555a9245cab | mp-1234724 | Move the atom at index 7 by [0.634 0.281 1.142] angstrom in the cif file. | data_image0
_chemical_formula_structural MgCo4Te8O20
_chemical_formula_sum "Mg1 Co4 Te8 O20"
_cell_length_a 7.21797646
_cell_length_b 10.99906875
_cell_length_c 6.31252205
_cell_angle_alpha 93.50586638
_cell_angle_beta 89.91877175
_cell_angle_gamma 88.66718852
_space_grou... | data_image0
_chemical_formula_structural MgCo4Te8O20
_chemical_formula_sum "Mg1 Co4 Te8 O20"
_cell_length_a 7.21797646
_cell_length_b 10.99906875
_cell_length_c 6.31252205
_cell_angle_alpha 93.50586638
_cell_angle_beta 89.91877175
_cell_angle_gamma 88.66718852
_space_grou... |
MoveAtomAction | e01e5dd1-6e8c-4cba-a037-0e0e4bb53c64 | mp-1101228 | Move the atom at index 19 by [ 2.636 0.789 -1.332] angstrom in the cif file. | data_image0
_chemical_formula_structural V4F18
_chemical_formula_sum "V4 F18"
_cell_length_a 5.15948158
_cell_length_b 5.15948158
_cell_length_c 14.418455
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999463999998
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural V4F18
_chemical_formula_sum "V4 F18"
_cell_length_a 5.15948158
_cell_length_b 5.15948158
_cell_length_c 14.418455
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999463999998
_space_group_name_H-M_alt "P 1"
... |
MoveAtomAction | 8018c10b-eeef-4f6a-8849-c0a64bf71b85 | mp-1104537 | Move the atom at index 2 by [-2.193 -4.685 0.026] angstrom in the cif file. | data_image0
_chemical_formula_structural NdAl8Cr4
_chemical_formula_sum "Nd1 Al8 Cr4"
_cell_length_a 5.060121
_cell_length_b 6.84892539
_cell_length_c 6.84892539
_cell_angle_alpha 82.15673342
_cell_angle_beta 68.32076968
_cell_angle_gamma 68.32076968
_space_group_name_H-M... | data_image0
_chemical_formula_structural NdAl8Cr4
_chemical_formula_sum "Nd1 Al8 Cr4"
_cell_length_a 5.060121
_cell_length_b 6.84892539
_cell_length_c 6.84892539
_cell_angle_alpha 82.15673342
_cell_angle_beta 68.32076968
_cell_angle_gamma 68.32076968
_space_group_name_H-M... |
MoveAtomAction | 1f896c56-c37c-4141-beae-35c2ab794df7 | mp-545706 | Move the atom at index 9 by [ 2.049 4.433 -3.436] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca3Cu2Br2O4
_chemical_formula_sum "Ca3 Cu2 Br2 O4"
_cell_length_a 12.26960226
_cell_length_b 12.26960226
_cell_length_c 12.26960226
_cell_angle_alpha 161.80740200000002
_cell_angle_beta 161.80740200000002
_cell_angle_gamma 25.838674... | data_image0
_chemical_formula_structural Ca3Cu2Br2O4
_chemical_formula_sum "Ca3 Cu2 Br2 O4"
_cell_length_a 12.26960226
_cell_length_b 12.26960226
_cell_length_c 12.26960226
_cell_angle_alpha 161.80740200000002
_cell_angle_beta 161.80740200000002
_cell_angle_gamma 25.838674... |
MoveAtomAction | e9ea076e-8036-45c8-bdb6-357ce97c547e | mp-1191832 | Move the atom at index 7 by [-1.137 -1.709 1.484] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2Mo8O12
_chemical_formula_sum "Na2 Mo8 O12"
_cell_length_a 10.016629
_cell_length_b 10.016629
_cell_length_c 3.26276
_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 Na2Mo8O12
_chemical_formula_sum "Na2 Mo8 O12"
_cell_length_a 10.016629
_cell_length_b 10.016629
_cell_length_c 3.26276
_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 | 7910a948-1c93-4edd-8374-73b41c012029 | mp-754658 | Move the atom at index 1 by [-0.034 0.523 3.216] angstrom in the cif file. | data_image0
_chemical_formula_structural Te4O12
_chemical_formula_sum "Te4 O12"
_cell_length_a 5.12838914
_cell_length_b 4.80121244
_cell_length_c 8.3421979
_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 Te4O12
_chemical_formula_sum "Te4 O12"
_cell_length_a 5.12838914
_cell_length_b 4.80121244
_cell_length_c 8.3421979
_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 | 66552c77-ecfc-4a99-b73c-9212825c52ee | mp-17822 | Move the atom at index 7 by [ 0.222 -3.926 0.516] angstrom in the cif file. | data_image0
_chemical_formula_structural Dy8Mo4O24
_chemical_formula_sum "Dy8 Mo4 O24"
_cell_length_a 9.85730477
_cell_length_b 9.857304769999999
_cell_length_c 5.34113972
_cell_angle_alpha 74.85744461
_cell_angle_beta 74.85744461
_cell_angle_gamma 67.9590639
_space_group... | data_image0
_chemical_formula_structural Dy8Mo4O24
_chemical_formula_sum "Dy8 Mo4 O24"
_cell_length_a 9.85730477
_cell_length_b 9.857304769999999
_cell_length_c 5.34113972
_cell_angle_alpha 74.85744461
_cell_angle_beta 74.85744461
_cell_angle_gamma 67.9590639
_space_group... |
MoveAtomAction | cd9de08b-fdec-4ad1-adde-5fd01b7ecc89 | mp-1026735 | Move the atom at index 13 by [-0.649 0.802 1.03 ] angstrom in the cif file. | data_image0
_chemical_formula_structural CeMg14Sb
_chemical_formula_sum "Ce1 Mg14 Sb1"
_cell_length_a 6.42162915
_cell_length_b 6.42162863
_cell_length_c 10.55270559
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000275000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural CeMg14Sb
_chemical_formula_sum "Ce1 Mg14 Sb1"
_cell_length_a 6.42162915
_cell_length_b 6.42162863
_cell_length_c 10.55270559
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000275000001
_space_group_name_H-M_al... |
MoveAtomAction | e13620a4-5a03-4edf-be91-b13df389dbaf | mp-558603 | Move the atom at index 17 by [-0.348 -1.364 1.303] angstrom in the cif file. | data_image0
_chemical_formula_structural K4Si8O18
_chemical_formula_sum "K4 Si8 O18"
_cell_length_a 4.93890481
_cell_length_b 8.34642066
_cell_length_c 12.1241052
_cell_angle_alpha 71.14050658
_cell_angle_beta 89.68090569
_cell_angle_gamma 89.07631855999999
_space_group_n... | data_image0
_chemical_formula_structural K4Si8O18
_chemical_formula_sum "K4 Si8 O18"
_cell_length_a 4.93890481
_cell_length_b 8.34642066
_cell_length_c 12.1241052
_cell_angle_alpha 71.14050658
_cell_angle_beta 89.68090569
_cell_angle_gamma 89.07631855999999
_space_group_n... |
MoveAtomAction | 8ad4de87-953c-4cdc-9c4f-494c4c1af119 | mp-754012 | Move the atom at index 2 by [-2.165 -0.902 -0.657] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn2C4O12
_chemical_formula_sum "Mn2 C4 O12"
_cell_length_a 4.66888862
_cell_length_b 11.27689333
_cell_length_c 4.668973390000001
_cell_angle_alpha 78.05049791
_cell_angle_beta 120.0022389
_cell_angle_gamma 90.00444884
_space_group... | data_image0
_chemical_formula_structural Mn2C4O12
_chemical_formula_sum "Mn2 C4 O12"
_cell_length_a 4.66888862
_cell_length_b 11.27689333
_cell_length_c 4.668973390000001
_cell_angle_alpha 78.05049791
_cell_angle_beta 120.0022389
_cell_angle_gamma 90.00444884
_space_group... |
MoveAtomAction | 9d225fdc-42c2-4175-aa2e-d9109f8f7b6e | mp-1026930 | Move the atom at index 0 by [-0.403 -1.037 2.245] angstrom in the cif file. | data_image0
_chemical_formula_structural Te2MoW3Se2S4
_chemical_formula_sum "Te2 Mo1 W3 Se2 S4"
_cell_length_a 3.3083593
_cell_length_b 3.3083593000000002
_cell_length_c 37.684738
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998606000001
_space_gro... | data_image0
_chemical_formula_structural Te2MoW3Se2S4
_chemical_formula_sum "Te2 Mo1 W3 Se2 S4"
_cell_length_a 3.3083593
_cell_length_b 3.3083593000000002
_cell_length_c 37.684738
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998606000001
_space_gro... |
MoveAtomAction | fc7f936d-bcc6-442c-b01a-e8dbdfaa1879 | mp-1041539 | Move the atom at index 12 by [-0.355 -3.885 -1.439] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti4Zn2O8
_chemical_formula_sum "Ti4 Zn2 O8"
_cell_length_a 6.1031153
_cell_length_b 6.103115300000001
_cell_length_c 6.1031153
_cell_angle_alpha 121.13934974
_cell_angle_beta 119.7363984
_cell_angle_gamma 89.24758957
_space_group_n... | data_image0
_chemical_formula_structural Ti4Zn2O8
_chemical_formula_sum "Ti4 Zn2 O8"
_cell_length_a 6.1031153
_cell_length_b 6.103115300000001
_cell_length_c 6.1031153
_cell_angle_alpha 121.13934974
_cell_angle_beta 119.7363984
_cell_angle_gamma 89.24758957
_space_group_n... |
MoveAtomAction | 150ff6d9-f02b-4abe-8cb9-fc0b17b7f66e | mp-543011 | Move the atom at index 12 by [-3.134 1.29 -1.361] angstrom in the cif file. | data_image0
_chemical_formula_structural Zn7S7
_chemical_formula_sum "Zn7 S7"
_cell_length_a 22.15738029
_cell_length_b 22.15738029
_cell_length_c 22.15738081
_cell_angle_alpha 9.99203003000004
_cell_angle_beta 9.992030030000002
_cell_angle_gamma 9.992031460000021
_space_... | data_image0
_chemical_formula_structural Zn7S7
_chemical_formula_sum "Zn7 S7"
_cell_length_a 22.15738029
_cell_length_b 22.15738029
_cell_length_c 22.15738081
_cell_angle_alpha 9.99203003000004
_cell_angle_beta 9.992030030000002
_cell_angle_gamma 9.992031460000021
_space_... |
MoveAtomAction | 41172f05-032b-42fa-952d-01b59306cd03 | mp-1029915 | Move the atom at index 9 by [1.207 3.061 1.268] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca8Sn4N8
_chemical_formula_sum "Ca8 Sn4 N8"
_cell_length_a 6.19494953
_cell_length_b 6.19494953
_cell_length_c 12.130428
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 131.08566149
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Ca8Sn4N8
_chemical_formula_sum "Ca8 Sn4 N8"
_cell_length_a 6.19494953
_cell_length_b 6.19494953
_cell_length_c 12.130428
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 131.08566149
_space_group_name_H-M_alt "P 1"... |
MoveAtomAction | d7e4dcba-64be-4344-84ea-c12676d8be71 | mp-760977 | Move the atom at index 10 by [-0.054 0.735 0.746] angstrom in the cif file. | data_image0
_chemical_formula_structural Ni6O2F10
_chemical_formula_sum "Ni6 O2 F10"
_cell_length_a 4.68898674
_cell_length_b 4.68906755
_cell_length_c 9.283474999999997
_cell_angle_alpha 90.00154264
_cell_angle_beta 89.99872225
_cell_angle_gamma 89.21634516
_space_group_... | data_image0
_chemical_formula_structural Ni6O2F10
_chemical_formula_sum "Ni6 O2 F10"
_cell_length_a 4.68898674
_cell_length_b 4.68906755
_cell_length_c 9.283474999999997
_cell_angle_alpha 90.00154264
_cell_angle_beta 89.99872225
_cell_angle_gamma 89.21634516
_space_group_... |
MoveAtomAction | d2e7b22f-5e98-471e-8b23-36a62a5b9267 | mp-1209044 | Move the atom at index 23 by [ 0.277 -0.07 1.808] angstrom in the cif file. | data_image0
_chemical_formula_structural Sc20Sb12
_chemical_formula_sum "Sc20 Sb12"
_cell_length_a 7.61616863
_cell_length_b 8.76414466
_cell_length_c 11.17943473
_cell_angle_alpha 90.0
_cell_angle_beta 90.00107002
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Sc20Sb12
_chemical_formula_sum "Sc20 Sb12"
_cell_length_a 7.61616863
_cell_length_b 8.76414466
_cell_length_c 11.17943473
_cell_angle_alpha 90.0
_cell_angle_beta 90.00107002
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveAtomAction | 882bfb47-b320-4628-94fc-3abe927c697f | mp-675770 | Move the atom at index 3 by [0.683 1.142 0.914] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd3U2O10
_chemical_formula_sum "Nd3 U2 O10"
_cell_length_a 6.5796035
_cell_length_b 6.5796035
_cell_length_c 8.478072710000001
_cell_angle_alpha 51.801004170000006
_cell_angle_beta 51.801004170000006
_cell_angle_gamma 49.08860705999... | data_image0
_chemical_formula_structural Nd3U2O10
_chemical_formula_sum "Nd3 U2 O10"
_cell_length_a 6.5796035
_cell_length_b 6.5796035
_cell_length_c 8.478072710000001
_cell_angle_alpha 51.801004170000006
_cell_angle_beta 51.801004170000006
_cell_angle_gamma 49.08860705999... |
MoveAtomAction | 2077b349-c27a-4c08-83fc-2899be59275b | mp-1147737 | Move the atom at index 8 by [-4.341 -1.913 -0.29 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4ZnP2S8
_chemical_formula_sum "Li4 Zn1 P2 S8"
_cell_length_a 5.784305
_cell_length_b 6.23957908
_cell_length_c 10.197389130000001
_cell_angle_alpha 79.85876685
_cell_angle_beta 73.96717925
_cell_angle_gamma 62.53240826
_space_gro... | data_image0
_chemical_formula_structural Li4ZnP2S8
_chemical_formula_sum "Li4 Zn1 P2 S8"
_cell_length_a 5.784305
_cell_length_b 6.23957908
_cell_length_c 10.197389130000001
_cell_angle_alpha 79.85876685
_cell_angle_beta 73.96717925
_cell_angle_gamma 62.53240826
_space_gro... |
MoveAtomAction | 47cceb55-d941-45bc-8c35-1c9c9bd9f01c | mp-693620 | Move the atom at index 23 by [-0.612 0.537 -2.372] angstrom in the cif file. | data_image0
_chemical_formula_structural K2Ca4Be4Al2Si24O60
_chemical_formula_sum "K2 Ca4 Be4 Al2 Si24 O60"
_cell_length_a 10.47966448
_cell_length_b 10.47966448
_cell_length_c 14.094663
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.96705842
_space_gr... | data_image0
_chemical_formula_structural K2Ca4Be4Al2Si24O60
_chemical_formula_sum "K2 Ca4 Be4 Al2 Si24 O60"
_cell_length_a 10.47966448
_cell_length_b 10.47966448
_cell_length_c 14.094663
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.96705842
_space_gr... |
MoveAtomAction | 63e079f4-28bc-4fbc-b113-75aa4150197a | mp-1573889 | Move the atom at index 23 by [-1.829 -1.836 2.743] 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 | 768fb1f0-c94e-4403-bfca-816c497ad177 | mp-1203061 | Move the atom at index 30 by [-0.82 1.202 2.098] angstrom in the cif file. | data_image0
_chemical_formula_structural Tc8F32
_chemical_formula_sum "Tc8 F32"
_cell_length_a 5.3816679
_cell_length_b 9.33728238
_cell_length_c 11.21256405
_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 Tc8F32
_chemical_formula_sum "Tc8 F32"
_cell_length_a 5.3816679
_cell_length_b 9.33728238
_cell_length_c 11.21256405
_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 | 326e98ee-d8b1-4bfd-895e-ee2482ddc8b9 | mp-2231186 | Move the atom at index 13 by [-2.808 -0.743 3.153] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2MgMo2P2Cl2O10
_chemical_formula_sum "Rb2 Mg1 Mo2 P2 Cl2 O10"
_cell_length_a 6.67572734
_cell_length_b 6.67572734
_cell_length_c 7.605368190000001
_cell_angle_alpha 97.32842016
_cell_angle_beta 82.67157984
_cell_angle_gamma 87.974... | data_image0
_chemical_formula_structural Rb2MgMo2P2Cl2O10
_chemical_formula_sum "Rb2 Mg1 Mo2 P2 Cl2 O10"
_cell_length_a 6.67572734
_cell_length_b 6.67572734
_cell_length_c 7.605368190000001
_cell_angle_alpha 97.32842016
_cell_angle_beta 82.67157984
_cell_angle_gamma 87.974... |
MoveAtomAction | ac19875d-db8b-41ed-9076-fb50c6fb2129 | mp-761710 | Move the atom at index 4 by [1.273 0.67 0.189] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Fe2Co2O8
_chemical_formula_sum "Li2 Fe2 Co2 O8"
_cell_length_a 5.84785554
_cell_length_b 5.847855770000001
_cell_length_c 5.84785554
_cell_angle_alpha 89.97011905
_cell_angle_beta 119.157337
_cell_angle_gamma 59.184920010000006
... | data_image0
_chemical_formula_structural Li2Fe2Co2O8
_chemical_formula_sum "Li2 Fe2 Co2 O8"
_cell_length_a 5.84785554
_cell_length_b 5.847855770000001
_cell_length_c 5.84785554
_cell_angle_alpha 89.97011905
_cell_angle_beta 119.157337
_cell_angle_gamma 59.184920010000006
... |
MoveAtomAction | 97e60837-cf9c-4456-9950-837b779091cb | mp-1746 | Move the atom at index 0 by [1.847 0.718 0.101] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4F8
_chemical_formula_sum "Mg4 F8"
_cell_length_a 5.012339
_cell_length_b 5.012339
_cell_length_c 5.012339
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_num... | data_image0
_chemical_formula_structural Mg4F8
_chemical_formula_sum "Mg4 F8"
_cell_length_a 5.012339
_cell_length_b 5.012339
_cell_length_c 5.012339
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_num... |
MoveAtomAction | 4af0035c-e560-4413-99cc-dd101800e0d7 | mp-1228452 | Move the atom at index 0 by [ 0.791 -0.056 -1.382] 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 | 5b8270fd-45aa-450b-b49c-6d2657fd06c2 | mp-28802 | Move the atom at index 0 by [-4.748 3.528 -0.503] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr4Zn3F14
_chemical_formula_sum "Sr4 Zn3 F14"
_cell_length_a 6.75415152
_cell_length_b 6.75415767
_cell_length_c 7.12313619
_cell_angle_alpha 89.99988321
_cell_angle_beta 89.99985789
_cell_angle_gamma 119.99806076000002
_space_grou... | data_image0
_chemical_formula_structural Sr4Zn3F14
_chemical_formula_sum "Sr4 Zn3 F14"
_cell_length_a 6.75415152
_cell_length_b 6.75415767
_cell_length_c 7.12313619
_cell_angle_alpha 89.99988321
_cell_angle_beta 89.99985789
_cell_angle_gamma 119.99806076000002
_space_grou... |
MoveAtomAction | 24a123a2-0f81-4135-876e-85f1d94d0bad | mp-754293 | Move the atom at index 3 by [0.206 1.508 1.725] angstrom in the cif file. | data_image0
_chemical_formula_structural Co6O4F8
_chemical_formula_sum "Co6 O4 F8"
_cell_length_a 4.582993
_cell_length_b 5.659017
_cell_length_c 7.73275339
_cell_angle_alpha 87.86569851
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Co6O4F8
_chemical_formula_sum "Co6 O4 F8"
_cell_length_a 4.582993
_cell_length_b 5.659017
_cell_length_c 7.73275339
_cell_angle_alpha 87.86569851
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
MoveAtomAction | 6e517f30-280e-4b9c-ba9e-2ebb75af5ecb | mp-752419 | Move the atom at index 10 by [-1.838 2.939 -3.786] 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 | e3deadf4-d579-4ac4-b14a-f95632862444 | mp-28251 | Move the atom at index 19 by [-1.549 -0.909 1.117] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta4Zn6O16
_chemical_formula_sum "Ta4 Zn6 O16"
_cell_length_a 6.11858135
_cell_length_b 6.11857964
_cell_length_c 9.515213199999998
_cell_angle_alpha 71.39814522
_cell_angle_beta 71.39813469
_cell_angle_gamma 86.94086499
_space_grou... | data_image0
_chemical_formula_structural Ta4Zn6O16
_chemical_formula_sum "Ta4 Zn6 O16"
_cell_length_a 6.11858135
_cell_length_b 6.11857964
_cell_length_c 9.515213199999998
_cell_angle_alpha 71.39814522
_cell_angle_beta 71.39813469
_cell_angle_gamma 86.94086499
_space_grou... |
MoveAtomAction | d8a9448e-1250-4eb7-a2e4-77075a7bf5cc | mp-1045008 | Move the atom at index 5 by [-0.439 -4.142 1.024] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2AlW3O7
_chemical_formula_sum "Ba2 Al1 W3 O7"
_cell_length_a 3.44532
_cell_length_b 4.161211
_cell_length_c 13.564674
_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 Ba2AlW3O7
_chemical_formula_sum "Ba2 Al1 W3 O7"
_cell_length_a 3.44532
_cell_length_b 4.161211
_cell_length_c 13.564674
_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 | 2fb8d0b0-56e9-4c7c-8db6-30a27e9b48c3 | mp-1213522 | Move the atom at index 5 by [ 1.612 -1.816 -2.587] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs4Rb4Mo12P12O68
_chemical_formula_sum "Cs4 Rb4 Mo12 P12 O68"
_cell_length_a 9.711585
_cell_length_b 10.998928
_cell_length_c 16.02131593
_cell_angle_alpha 68.56286102
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Cs4Rb4Mo12P12O68
_chemical_formula_sum "Cs4 Rb4 Mo12 P12 O68"
_cell_length_a 9.711585
_cell_length_b 10.998928
_cell_length_c 16.02131593
_cell_angle_alpha 68.56286102
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
MoveAtomAction | ffc5eba7-8b71-4812-90b1-30a842ba643b | mp-1040411 | Move the atom at index 7 by [ 0.7 -0.974 -2.43 ] angstrom in the cif file. | data_image0
_chemical_formula_structural CsHfMg30O31
_chemical_formula_sum "Cs1 Hf1 Mg30 O31"
_cell_length_a 8.66402699
_cell_length_b 8.77212617
_cell_length_c 8.770686989999998
_cell_angle_alpha 89.9996359
_cell_angle_beta 89.99991935999999
_cell_angle_gamma 90.00112454
... | data_image0
_chemical_formula_structural CsHfMg30O31
_chemical_formula_sum "Cs1 Hf1 Mg30 O31"
_cell_length_a 8.66402699
_cell_length_b 8.77212617
_cell_length_c 8.770686989999998
_cell_angle_alpha 89.9996359
_cell_angle_beta 89.99991935999999
_cell_angle_gamma 90.00112454
... |
MoveAtomAction | 6f1fd3ec-d6b5-4eea-b455-c9fa6d2ac748 | mp-1201281 | Move the atom at index 36 by [-2.726 -1.648 0.399] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs4Np4Mo4O28
_chemical_formula_sum "Cs4 Np4 Mo4 O28"
_cell_length_a 8.198976
_cell_length_b 9.448569
_cell_length_c 10.543912
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Cs4Np4Mo4O28
_chemical_formula_sum "Cs4 Np4 Mo4 O28"
_cell_length_a 8.198976
_cell_length_b 9.448569
_cell_length_c 10.543912
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
MoveAtomAction | a8249da6-64d7-4cfb-b929-33814b5cd2c5 | mp-754915 | Move the atom at index 7 by [0.113 1.414 1.727] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2Fe2O6
_chemical_formula_sum "Na2 Fe2 O6"
_cell_length_a 5.0819733
_cell_length_b 5.081823
_cell_length_c 6.02608011
_cell_angle_alpha 65.06173316
_cell_angle_beta 89.99959398000001
_cell_angle_gamma 59.99876032
_space_group_name... | data_image0
_chemical_formula_structural Na2Fe2O6
_chemical_formula_sum "Na2 Fe2 O6"
_cell_length_a 5.0819733
_cell_length_b 5.081823
_cell_length_c 6.02608011
_cell_angle_alpha 65.06173316
_cell_angle_beta 89.99959398000001
_cell_angle_gamma 59.99876032
_space_group_name... |
MoveAtomAction | 3d5e0ad4-6703-445a-9759-92790b843b75 | mp-1193985 | Move the atom at index 28 by [-3.257 -0.886 1.696] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta2Co21B6
_chemical_formula_sum "Ta2 Co21 B6"
_cell_length_a 7.42278272
_cell_length_b 7.42278272
_cell_length_c 7.42278272
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Ta2Co21B6
_chemical_formula_sum "Ta2 Co21 B6"
_cell_length_a 7.42278272
_cell_length_b 7.42278272
_cell_length_c 7.42278272
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... |
MoveAtomAction | 02f1079a-737c-4aa9-9b81-b5e3c1122d61 | mp-1042619 | Move the atom at index 15 by [-0.387 2.214 2.476] angstrom in the cif file. | data_image0
_chemical_formula_structural MgCu3Sn4O12
_chemical_formula_sum "Mg1 Cu3 Sn4 O12"
_cell_length_a 6.68046281
_cell_length_b 6.68046281
_cell_length_c 6.68046281
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_gr... | data_image0
_chemical_formula_structural MgCu3Sn4O12
_chemical_formula_sum "Mg1 Cu3 Sn4 O12"
_cell_length_a 6.68046281
_cell_length_b 6.68046281
_cell_length_c 6.68046281
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_gr... |
MoveAtomAction | eae3ae8c-5f43-4080-a32c-fb44c4ccc060 | mp-1226835 | Move the atom at index 10 by [-2.302 -1.093 -3.275] angstrom in the cif file. | data_image0
_chemical_formula_structural Ce4Al6Ru2
_chemical_formula_sum "Ce4 Al6 Ru2"
_cell_length_a 5.57111515
_cell_length_b 5.57111515
_cell_length_c 8.774832
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998989000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ce4Al6Ru2
_chemical_formula_sum "Ce4 Al6 Ru2"
_cell_length_a 5.57111515
_cell_length_b 5.57111515
_cell_length_c 8.774832
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998989000001
_space_group_name_H-M_alt ... |
MoveAtomAction | 93a5d27e-490b-41ec-8f17-b716ce95bd09 | mp-7152 | Move the atom at index 1 by [-1.037 -0.07 -3.093] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2Zr2Cu2Se6
_chemical_formula_sum "Cs2 Zr2 Cu2 Se6"
_cell_length_a 3.946362
_cell_length_b 8.38487027
_cell_length_c 10.286295
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 103.61086135
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs2Zr2Cu2Se6
_chemical_formula_sum "Cs2 Zr2 Cu2 Se6"
_cell_length_a 3.946362
_cell_length_b 8.38487027
_cell_length_c 10.286295
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 103.61086135
_space_group_name_H-M_alt ... |
MoveAtomAction | ce12c7f5-0fee-47f8-990a-85bec5b5b10a | mp-768946 | Move the atom at index 11 by [0.553 2.434 0.65 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Cr6Co2O16
_chemical_formula_sum "Li8 Cr6 Co2 O16"
_cell_length_a 5.08422505
_cell_length_b 10.24775626
_cell_length_c 5.87238314
_cell_angle_alpha 73.37294484
_cell_angle_beta 90.01373118
_cell_angle_gamma 80.49168511
_space_gro... | data_image0
_chemical_formula_structural Li8Cr6Co2O16
_chemical_formula_sum "Li8 Cr6 Co2 O16"
_cell_length_a 5.08422505
_cell_length_b 10.24775626
_cell_length_c 5.87238314
_cell_angle_alpha 73.37294484
_cell_angle_beta 90.01373118
_cell_angle_gamma 80.49168511
_space_gro... |
MoveAtomAction | 2e94b6a2-dc5f-4933-a56f-7d460df69774 | mp-1180605 | Move the atom at index 0 by [4.607 4.189 5.312] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2Al2S4O38
_chemical_formula_sum "Na2 Al2 S4 O38"
_cell_length_a 11.55504909
_cell_length_b 11.55504909
_cell_length_c 8.29750683
_cell_angle_alpha 87.88790446000002
_cell_angle_beta 87.88790446000002
_cell_angle_gamma 44.456240189... | data_image0
_chemical_formula_structural Na2Al2S4O38
_chemical_formula_sum "Na2 Al2 S4 O38"
_cell_length_a 11.55504909
_cell_length_b 11.55504909
_cell_length_c 8.29750683
_cell_angle_alpha 87.88790446000002
_cell_angle_beta 87.88790446000002
_cell_angle_gamma 44.456240189... |
MoveAtomAction | c92edb8b-1b96-490b-a308-d9728f53626c | mp-754936 | Move the atom at index 5 by [ 0.655 -2.605 1.558] angstrom in the cif file. | data_image0
_chemical_formula_structural Dy2Al2O6
_chemical_formula_sum "Dy2 Al2 O6"
_cell_length_a 5.23705629
_cell_length_b 5.23705629
_cell_length_c 5.23705661
_cell_angle_alpha 60.91956114
_cell_angle_beta 60.91956114
_cell_angle_gamma 60.91956644
_space_group_name_H-... | data_image0
_chemical_formula_structural Dy2Al2O6
_chemical_formula_sum "Dy2 Al2 O6"
_cell_length_a 5.23705629
_cell_length_b 5.23705629
_cell_length_c 5.23705661
_cell_angle_alpha 60.91956114
_cell_angle_beta 60.91956114
_cell_angle_gamma 60.91956644
_space_group_name_H-... |
MoveAtomAction | 36a8cddb-8a2e-4a1f-a2f7-26b1c7c9833e | mp-1200529 | Move the atom at index 10 by [ 3.297 -0.219 1.904] angstrom in the cif file. | data_image0
_chemical_formula_structural Cu4As4Pb4O20
_chemical_formula_sum "Cu4 As4 Pb4 O20"
_cell_length_a 6.049413
_cell_length_b 8.473073
_cell_length_c 8.958571
_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 Cu4As4Pb4O20
_chemical_formula_sum "Cu4 As4 Pb4 O20"
_cell_length_a 6.049413
_cell_length_b 8.473073
_cell_length_c 8.958571
_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 | df57f9e4-305f-465b-8899-14cccccb6439 | mp-542449 | Move the atom at index 2 by [-0.462 0.892 -4.819] angstrom in the cif file. | data_image0
_chemical_formula_structural Sc5Cl8
_chemical_formula_sum "Sc5 Cl8"
_cell_length_a 3.56970842
_cell_length_b 9.51391888
_cell_length_c 9.733746090000002
_cell_angle_alpha 88.02303824
_cell_angle_beta 79.45927861
_cell_angle_gamma 79.14940743
_space_group_name_... | data_image0
_chemical_formula_structural Sc5Cl8
_chemical_formula_sum "Sc5 Cl8"
_cell_length_a 3.56970842
_cell_length_b 9.51391888
_cell_length_c 9.733746090000002
_cell_angle_alpha 88.02303824
_cell_angle_beta 79.45927861
_cell_angle_gamma 79.14940743
_space_group_name_... |
MoveAtomAction | 8e74b067-c50e-4f11-84b1-639e99c66001 | mp-22106 | Move the atom at index 9 by [-0.129 0.11 2.322] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd4Ni4O12
_chemical_formula_sum "Nd4 Ni4 O12"
_cell_length_a 5.38376377
_cell_length_b 5.38857796
_cell_length_c 7.604511
_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 Nd4Ni4O12
_chemical_formula_sum "Nd4 Ni4 O12"
_cell_length_a 5.38376377
_cell_length_b 5.38857796
_cell_length_c 7.604511
_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 | 787d4e97-c30f-4c59-a418-f16e58733172 | mp-759390 | Move the atom at index 61 by [-1.294 -1.098 -3.201] angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Bi8P12O48
_chemical_formula_sum "Li12 Bi8 P12 O48"
_cell_length_a 9.449902
_cell_length_b 8.813636
_cell_length_c 12.85301105
_cell_angle_alpha 81.95434423
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li12Bi8P12O48
_chemical_formula_sum "Li12 Bi8 P12 O48"
_cell_length_a 9.449902
_cell_length_b 8.813636
_cell_length_c 12.85301105
_cell_angle_alpha 81.95434423
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAtomAction | 035255f6-f030-481e-b93c-6591559b238c | mp-780531 | Move the atom at index 5 by [-1.563 0.471 -0.613] angstrom in the cif file. | data_image0
_chemical_formula_structural Na12Mn12O32
_chemical_formula_sum "Na12 Mn12 O32"
_cell_length_a 8.769133
_cell_length_b 8.769133
_cell_length_c 8.769133
_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 Na12Mn12O32
_chemical_formula_sum "Na12 Mn12 O32"
_cell_length_a 8.769133
_cell_length_b 8.769133
_cell_length_c 8.769133
_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 | e57bc9bb-ea25-48c9-99d0-cea33e0d7a21 | mp-1225344 | Move the atom at index 11 by [-2.776 -0.605 -1.507] angstrom in the cif file. | data_image0
_chemical_formula_structural Dy4Mn2Sb2O14
_chemical_formula_sum "Dy4 Mn2 Sb2 O14"
_cell_length_a 7.32090987
_cell_length_b 7.320909870000001
_cell_length_c 7.3209098699999995
_cell_angle_alpha 121.66856854000002
_cell_angle_beta 118.61004259
_cell_angle_gamma 8... | data_image0
_chemical_formula_structural Dy4Mn2Sb2O14
_chemical_formula_sum "Dy4 Mn2 Sb2 O14"
_cell_length_a 7.32090987
_cell_length_b 7.320909870000001
_cell_length_c 7.3209098699999995
_cell_angle_alpha 121.66856854000002
_cell_angle_beta 118.61004259
_cell_angle_gamma 8... |
MoveAtomAction | cc79ead0-a6bf-44dc-a4ce-8453fd545050 | mp-1522797 | Move the atom at index 4 by [-0.211 2.449 -0.082] angstrom in the cif file. | data_image0
_chemical_formula_structural BaTiNbGaO6
_chemical_formula_sum "Ba1 Ti1 Nb1 Ga1 O6"
_cell_length_a 5.71715084
_cell_length_b 5.71715084
_cell_length_c 5.71715084
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.00000000... | data_image0
_chemical_formula_structural BaTiNbGaO6
_chemical_formula_sum "Ba1 Ti1 Nb1 Ga1 O6"
_cell_length_a 5.71715084
_cell_length_b 5.71715084
_cell_length_c 5.71715084
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.00000000... |
MoveAtomAction | 155d4981-3904-4f27-9231-ebf6a35fe2b2 | mp-2426125 | Move the atom at index 23 by [ 1.454 -0.363 -1.842] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg18Sn10
_chemical_formula_sum "Mg18 Sn10"
_cell_length_a 8.88839894
_cell_length_b 8.888398940000002
_cell_length_c 8.88839933
_cell_angle_alpha 96.87517038
_cell_angle_beta 96.87517036999999
_cell_angle_gamma 96.87516981
_space_g... | data_image0
_chemical_formula_structural Mg18Sn10
_chemical_formula_sum "Mg18 Sn10"
_cell_length_a 8.88839894
_cell_length_b 8.888398940000002
_cell_length_c 8.88839933
_cell_angle_alpha 96.87517038
_cell_angle_beta 96.87517036999999
_cell_angle_gamma 96.87516981
_space_g... |
MoveAtomAction | eb28ec23-da9c-4f2b-b5ba-965ee08a19e9 | mp-3073 | Move the atom at index 16 by [-3.963 0.563 -0.39 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Sm4Te8O22
_chemical_formula_sum "Sm4 Te8 O22"
_cell_length_a 6.78496314
_cell_length_b 6.78496314
_cell_length_c 16.25884552
_cell_angle_alpha 75.59757158
_cell_angle_beta 75.59757158
_cell_angle_gamma 45.011500870000006
_space_gro... | data_image0
_chemical_formula_structural Sm4Te8O22
_chemical_formula_sum "Sm4 Te8 O22"
_cell_length_a 6.78496314
_cell_length_b 6.78496314
_cell_length_c 16.25884552
_cell_angle_alpha 75.59757158
_cell_angle_beta 75.59757158
_cell_angle_gamma 45.011500870000006
_space_gro... |
MoveAtomAction | da8a2657-061d-44d7-a6b9-5cdf9f975dd9 | mp-1043368 | Move the atom at index 1 by [ 1.907 0.877 -2.584] angstrom in the cif file. | data_image0
_chemical_formula_structural V4Zn4Ge8O24
_chemical_formula_sum "V4 Zn4 Ge8 O24"
_cell_length_a 9.385584
_cell_length_b 5.531833
_cell_length_c 9.84020205
_cell_angle_alpha 77.2231305
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural V4Zn4Ge8O24
_chemical_formula_sum "V4 Zn4 Ge8 O24"
_cell_length_a 9.385584
_cell_length_b 5.531833
_cell_length_c 9.84020205
_cell_angle_alpha 77.2231305
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveAtomAction | 6a6715aa-f2ef-409b-bb5c-453e1eab9c48 | mp-698134 | Move the atom at index 9 by [ 0.379 -0.914 0.735] angstrom in the cif file. | data_image0
_chemical_formula_structural K4Na4Sb4H12O6F20
_chemical_formula_sum "K4 Na4 Sb4 H12 O6 F20"
_cell_length_a 17.902519
_cell_length_b 6.153828
_cell_length_c 6.1553536
_cell_angle_alpha 89.39108713999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... | data_image0
_chemical_formula_structural K4Na4Sb4H12O6F20
_chemical_formula_sum "K4 Na4 Sb4 H12 O6 F20"
_cell_length_a 17.902519
_cell_length_b 6.153828
_cell_length_c 6.1553536
_cell_angle_alpha 89.39108713999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
MoveAtomAction | 72ce5bd8-a198-41e3-93ab-1e2e56858cec | mp-1516503 | Move the atom at index 8 by [-0.466 -2.179 0.034] 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 | 579bbb28-ff8b-40c7-a5fb-aa38a4f3dfbd | mp-1105549 | Move the atom at index 4 by [ 0.332 0.587 -0.086] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Hf4S12
_chemical_formula_sum "Ba4 Hf4 S12"
_cell_length_a 7.01916792
_cell_length_b 7.04466639
_cell_length_c 9.97598706
_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 Ba4Hf4S12
_chemical_formula_sum "Ba4 Hf4 S12"
_cell_length_a 7.01916792
_cell_length_b 7.04466639
_cell_length_c 9.97598706
_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 | d353447d-fee8-4c47-a7cd-f395424b9268 | mp-1193899 | Move the atom at index 20 by [-2.236 -2.918 -0.012] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta8Fe8Si14
_chemical_formula_sum "Ta8 Fe8 Si14"
_cell_length_a 9.22762901
_cell_length_b 9.22762901
_cell_length_c 9.22762901
_cell_angle_alpha 94.22080954
_cell_angle_beta 94.22080954
_cell_angle_gamma 148.51744114999997
_space_gr... | data_image0
_chemical_formula_structural Ta8Fe8Si14
_chemical_formula_sum "Ta8 Fe8 Si14"
_cell_length_a 9.22762901
_cell_length_b 9.22762901
_cell_length_c 9.22762901
_cell_angle_alpha 94.22080954
_cell_angle_beta 94.22080954
_cell_angle_gamma 148.51744114999997
_space_gr... |
MoveAtomAction | 8f2f139b-3de8-4862-a465-78f61c8d8592 | mp-1216402 | Move the atom at index 28 by [-1.191 1.287 -0.651] angstrom in the cif file. | data_image0
_chemical_formula_structural Y2U4B24Rh24
_chemical_formula_sum "Y2 U4 B24 Rh24"
_cell_length_a 5.335617
_cell_length_b 5.335617
_cell_length_c 22.517084
_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 Y2U4B24Rh24
_chemical_formula_sum "Y2 U4 B24 Rh24"
_cell_length_a 5.335617
_cell_length_b 5.335617
_cell_length_c 22.517084
_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 | fdd8372b-ddf5-4ae0-a16e-7915f97c70dd | mp-555792 | Move the atom at index 3 by [-0.572 0.295 -0.978] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2Os4O12
_chemical_formula_sum "Na2 Os4 O12"
_cell_length_a 7.20794247
_cell_length_b 7.20794247
_cell_length_c 7.20794247
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Na2Os4O12
_chemical_formula_sum "Na2 Os4 O12"
_cell_length_a 7.20794247
_cell_length_b 7.20794247
_cell_length_c 7.20794247
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... |
MoveAtomAction | 5a785c07-b3b2-4847-8882-c4c25c72a422 | mp-613620 | Move the atom at index 25 by [1.472 4.088 1.004] 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 | 3ae899c9-8e84-4ffe-a4ab-6fcfc43c0f88 | mp-1195683 | Move the atom at index 29 by [-0.987 0.388 -1.441] angstrom in the cif file. | data_image0
_chemical_formula_structural Na10Lu2H8C8O28
_chemical_formula_sum "Na10 Lu2 H8 C8 O28"
_cell_length_a 7.645634
_cell_length_b 7.645634
_cell_length_c 11.670033
_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 Na10Lu2H8C8O28
_chemical_formula_sum "Na10 Lu2 H8 C8 O28"
_cell_length_a 7.645634
_cell_length_b 7.645634
_cell_length_c 11.670033
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveAtomAction | 44eb29af-9f9b-4a03-8417-966b58f33009 | mp-753883 | Move the atom at index 12 by [-1.389 0.684 -0.255] angstrom in the cif file. | data_image0
_chemical_formula_structural La4Bi2O9
_chemical_formula_sum "La4 Bi2 O9"
_cell_length_a 5.848957
_cell_length_b 5.85465833
_cell_length_c 9.236225210000002
_cell_angle_alpha 107.93200039
_cell_angle_beta 93.52215625
_cell_angle_gamma 91.30189329999999
_space_g... | data_image0
_chemical_formula_structural La4Bi2O9
_chemical_formula_sum "La4 Bi2 O9"
_cell_length_a 5.848957
_cell_length_b 5.85465833
_cell_length_c 9.236225210000002
_cell_angle_alpha 107.93200039
_cell_angle_beta 93.52215625
_cell_angle_gamma 91.30189329999999
_space_g... |
MoveAtomAction | 0d54aa9d-2695-4b4a-b065-c2ccdc66cb1a | mp-1031226 | Move the atom at index 10 by [ 1. -5.371 0.134] angstrom in the cif file. | data_image0
_chemical_formula_structural RbMg6TiO8
_chemical_formula_sum "Rb1 Mg6 Ti1 O8"
_cell_length_a 8.65829641
_cell_length_b 4.61044527
_cell_length_c 4.61044527
_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 RbMg6TiO8
_chemical_formula_sum "Rb1 Mg6 Ti1 O8"
_cell_length_a 8.65829641
_cell_length_b 4.61044527
_cell_length_c 4.61044527
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveAtomAction | 6cb8d49e-f5a7-4a39-898c-df011490799f | mp-1238897 | Move the atom at index 2 by [-0.453 -0.686 1.692] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti4Cr4Ag4S16
_chemical_formula_sum "Ti4 Cr4 Ag4 S16"
_cell_length_a 6.475615
_cell_length_b 7.69109295
_cell_length_c 12.85135469
_cell_angle_alpha 98.47946294
_cell_angle_beta 95.52817443
_cell_angle_gamma 89.94978949999998
_space... | data_image0
_chemical_formula_structural Ti4Cr4Ag4S16
_chemical_formula_sum "Ti4 Cr4 Ag4 S16"
_cell_length_a 6.475615
_cell_length_b 7.69109295
_cell_length_c 12.85135469
_cell_angle_alpha 98.47946294
_cell_angle_beta 95.52817443
_cell_angle_gamma 89.94978949999998
_space... |
MoveAtomAction | 09339468-7090-4fbd-ad2f-de57536e1a62 | mp-1182886 | Move the atom at index 18 by [-0.438 0.672 0.009] angstrom in the cif file. | data_image0
_chemical_formula_structural Al8O24
_chemical_formula_sum "Al8 O24"
_cell_length_a 5.430238
_cell_length_b 8.937896
_cell_length_c 12.15981255
_cell_angle_alpha 49.744131579999994
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Al8O24
_chemical_formula_sum "Al8 O24"
_cell_length_a 5.430238
_cell_length_b 8.937896
_cell_length_c 12.15981255
_cell_angle_alpha 49.744131579999994
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveAtomAction | 2a0e6e49-e66f-4bff-9b63-0f3381a6d3d2 | mp-780571 | Move the atom at index 13 by [-2.37 -2.411 -0.953] angstrom in the cif file. | data_image0
_chemical_formula_structural Li6Mn8B8O24
_chemical_formula_sum "Li6 Mn8 B8 O24"
_cell_length_a 6.192752
_cell_length_b 9.07713544
_cell_length_c 9.67224295
_cell_angle_alpha 78.03873525
_cell_angle_beta 80.14275177
_cell_angle_gamma 72.81904888000001
_space_gr... | data_image0
_chemical_formula_structural Li6Mn8B8O24
_chemical_formula_sum "Li6 Mn8 B8 O24"
_cell_length_a 6.192752
_cell_length_b 9.07713544
_cell_length_c 9.67224295
_cell_angle_alpha 78.03873525
_cell_angle_beta 80.14275177
_cell_angle_gamma 72.81904888000001
_space_gr... |
MoveAtomAction | 2e43fbd9-4370-4f5e-87cc-78ac0a8ca49a | mp-1210244 | Move the atom at index 58 by [-0.517 -1.037 -1.773] angstrom in the cif file. | data_image0
_chemical_formula_structural Pr46Mg8Pt14
_chemical_formula_sum "Pr46 Mg8 Pt14"
_cell_length_a 10.22769297
_cell_length_b 10.227692969999998
_cell_length_c 23.10771016
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000229
_space_group_name... | data_image0
_chemical_formula_structural Pr46Mg8Pt14
_chemical_formula_sum "Pr46 Mg8 Pt14"
_cell_length_a 10.22769297
_cell_length_b 10.227692969999998
_cell_length_c 23.10771016
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000229
_space_group_name... |
MoveAtomAction | af9e9606-4491-4903-a71d-82dd4296242e | mp-1094113 | Move the atom at index 41 by [1.387 0.279 2.42 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Na4V8P8O36
_chemical_formula_sum "Na4 V8 P8 O36"
_cell_length_a 6.453138
_cell_length_b 7.676809
_cell_length_c 14.065464
_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 Na4V8P8O36
_chemical_formula_sum "Na4 V8 P8 O36"
_cell_length_a 6.453138
_cell_length_b 7.676809
_cell_length_c 14.065464
_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 | 70cd24d9-896e-4a04-ad8f-b982f61ad430 | mp-1192032 | Move the atom at index 22 by [-4.517 2.261 0.669] angstrom in the cif file. | data_image0
_chemical_formula_structural NaSr3Be3B3O9F4
_chemical_formula_sum "Na1 Sr3 Be3 B3 O9 F4"
_cell_length_a 6.76163682
_cell_length_b 6.761636819999999
_cell_length_c 6.76163698
_cell_angle_alpha 103.68584915
_cell_angle_beta 103.68584915
_cell_angle_gamma 103.6858... | data_image0
_chemical_formula_structural NaSr3Be3B3O9F4
_chemical_formula_sum "Na1 Sr3 Be3 B3 O9 F4"
_cell_length_a 6.76163682
_cell_length_b 6.761636819999999
_cell_length_c 6.76163698
_cell_angle_alpha 103.68584915
_cell_angle_beta 103.68584915
_cell_angle_gamma 103.6858... |
MoveAtomAction | 2cc99628-1c16-4755-b80c-a6b88ea88df0 | mp-2232164 | Move the atom at index 13 by [-2.47 0.091 3.201] angstrom in the cif file. | data_image0
_chemical_formula_structural MgMn4Ni2O8
_chemical_formula_sum "Mg1 Mn4 Ni2 O8"
_cell_length_a 6.19030256
_cell_length_b 6.19030258
_cell_length_c 6.5341021
_cell_angle_alpha 58.14515097000001
_cell_angle_beta 58.14514497
_cell_angle_gamma 59.50659378000001
_sp... | data_image0
_chemical_formula_structural MgMn4Ni2O8
_chemical_formula_sum "Mg1 Mn4 Ni2 O8"
_cell_length_a 6.19030256
_cell_length_b 6.19030258
_cell_length_c 6.5341021
_cell_angle_alpha 58.14515097000001
_cell_angle_beta 58.14514497
_cell_angle_gamma 59.50659378000001
_sp... |
MoveAtomAction | 315b3181-1407-4dab-af94-fa9e5db6b0a8 | mp-1223746 | Move the atom at index 7 by [-0.06 -1.654 0.123] angstrom in the cif file. | data_image0
_chemical_formula_structural InSb3Pb4O13
_chemical_formula_sum "In1 Sb3 Pb4 O13"
_cell_length_a 7.58615153
_cell_length_b 7.58615153
_cell_length_c 7.586150980000001
_cell_angle_alpha 60.338341190000016
_cell_angle_beta 60.338341190000016
_cell_angle_gamma 60.3... | data_image0
_chemical_formula_structural InSb3Pb4O13
_chemical_formula_sum "In1 Sb3 Pb4 O13"
_cell_length_a 7.58615153
_cell_length_b 7.58615153
_cell_length_c 7.586150980000001
_cell_angle_alpha 60.338341190000016
_cell_angle_beta 60.338341190000016
_cell_angle_gamma 60.3... |
MoveAtomAction | 0424e6b7-107f-49bf-b464-7552aee7fc06 | mp-1045731 | Move the atom at index 20 by [ 1.967 -2.597 1.395] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca8Sb8As16Se8O56
_chemical_formula_sum "Ca8 Sb8 As16 Se8 O56"
_cell_length_a 11.04231938
_cell_length_b 13.262266809999998
_cell_length_c 13.259987380000002
_cell_angle_alpha 80.0333665
_cell_angle_beta 65.41174568
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Ca8Sb8As16Se8O56
_chemical_formula_sum "Ca8 Sb8 As16 Se8 O56"
_cell_length_a 11.04231938
_cell_length_b 13.262266809999998
_cell_length_c 13.259987380000002
_cell_angle_alpha 80.0333665
_cell_angle_beta 65.41174568
_cell_angle_gamma ... |
MoveAtomAction | c8eb0215-13be-4cc0-8686-451cc8617aa6 | mp-11726 | Move the atom at index 5 by [0.338 2.723 0.634] angstrom in the cif file. | data_image0
_chemical_formula_structural La2Si8Ni18
_chemical_formula_sum "La2 Si8 Ni18"
_cell_length_a 7.9671485
_cell_length_b 7.9671485
_cell_length_c 7.9671485
_cell_angle_alpha 121.00716573999998
_cell_angle_beta 121.00716574
_cell_angle_gamma 88.26421403
_space_grou... | data_image0
_chemical_formula_structural La2Si8Ni18
_chemical_formula_sum "La2 Si8 Ni18"
_cell_length_a 7.9671485
_cell_length_b 7.9671485
_cell_length_c 7.9671485
_cell_angle_alpha 121.00716573999998
_cell_angle_beta 121.00716574
_cell_angle_gamma 88.26421403
_space_grou... |
MoveAtomAction | 5e34a681-7ed7-4a55-8b43-45791efb541f | mp-567505 | Move the atom at index 8 by [-2.376 2.267 1.034] angstrom in the cif file. | data_image0
_chemical_formula_structural Si8C8
_chemical_formula_sum "Si8 C8"
_cell_length_a 3.07718443
_cell_length_b 3.0771829699999995
_cell_length_c 20.12563135
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998351
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Si8C8
_chemical_formula_sum "Si8 C8"
_cell_length_a 3.07718443
_cell_length_b 3.0771829699999995
_cell_length_c 20.12563135
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998351
_space_group_name_H-M_alt "P... |
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