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 |
|---|---|---|---|---|---|
MoveAroundAtomAction | b686903e-543e-4a64-8cae-c978ef9c98fc | mp-1214888 | Move all surrounding atoms within 1.921 angstrom around the center atom at index 20 by [ 3.425 2.603 -1.723] angstrom in the cif file. | data_image0
_chemical_formula_structural AlZn2SbH12O12
_chemical_formula_sum "Al1 Zn2 Sb1 H12 O12"
_cell_length_a 5.4549923
_cell_length_b 5.4549923
_cell_length_c 9.901306
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000367999999
_space_group_name... | data_image0
_chemical_formula_structural AlZn2SbH12O12
_chemical_formula_sum "Al1 Zn2 Sb1 H12 O12"
_cell_length_a 5.4549923
_cell_length_b 5.4549923
_cell_length_c 9.901306
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000367999999
_space_group_name... |
MoveAroundAtomAction | 8b98104e-018c-488c-9de0-7600909d31f0 | mp-757167 | Move all surrounding atoms within 2.312 angstrom around the center atom at index 4 by [-0.79 1.86 0.992] 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... |
MoveAroundAtomAction | 242eb2c6-64c2-4f6c-ab0a-c297b8a1c767 | mp-1037899 | Move all surrounding atoms within 3.076 angstrom around the center atom at index 23 by [-1.144 -2.267 1.954] angstrom in the cif file. | data_image0
_chemical_formula_structural CaMg30NbO32
_chemical_formula_sum "Ca1 Mg30 Nb1 O32"
_cell_length_a 8.5899102
_cell_length_b 8.59776736
_cell_length_c 8.59776736
_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 CaMg30NbO32
_chemical_formula_sum "Ca1 Mg30 Nb1 O32"
_cell_length_a 8.5899102
_cell_length_b 8.59776736
_cell_length_c 8.59776736
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveAroundAtomAction | 68b197f1-8df5-4352-92e0-22f81d5ef2f2 | mp-1041312 | Move all surrounding atoms within 2.332 angstrom around the center atom at index 5 by [0.788 1.164 0.292] 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 "... |
MoveAroundAtomAction | d98dddc6-d668-465b-ac46-16df72bdc6c4 | mp-1027815 | Move all surrounding atoms within 3.921 angstrom around the center atom at index 10 by [ 1.61 -1.954 -2.785] 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 ... |
MoveAroundAtomAction | 5ba9fb28-cc10-4beb-a607-2cecd3110d34 | mp-1188970 | Move all surrounding atoms within 1.519 angstrom around the center atom at index 6 by [ 1.056 1.734 -1.742] 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 ... |
MoveAroundAtomAction | 6897df63-67a0-4d75-9a42-3b18c99257a6 | mp-1216279 | Move all surrounding atoms within 3.731 angstrom around the center atom at index 7 by [ 1.042 -1.578 -1.052] 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... |
MoveAroundAtomAction | 8edf1c40-150a-4dbb-9010-cff1c25c12a3 | mp-1247128 | Move all surrounding atoms within 3.529 angstrom around the center atom at index 12 by [-2.396 1.192 -2.245] 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
_... |
MoveAroundAtomAction | 7d2491fb-4d48-43ee-a43e-28ca354f88fd | mp-1349418 | Move all surrounding atoms within 2.924 angstrom around the center atom at index 16 by [-4.841 -1.605 0.366] 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_... |
MoveAroundAtomAction | 6bc8abcc-8ec4-4acc-96ca-e59a9d6b8ecf | mp-1222315 | Move all surrounding atoms within 3.68 angstrom around the center atom at index 0 by [ 1.569 2.885 -2.469] 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... |
MoveAroundAtomAction | 2c4ad131-cb2e-4cb0-b65b-28300f6ea2b1 | mp-556015 | Move all surrounding atoms within 3.108 angstrom around the center atom at index 8 by [-0.624 -0.253 0.487] 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_... |
MoveAroundAtomAction | 16e623db-ef94-4107-a61b-0be90b0dd6bf | mp-730460 | Move all surrounding atoms within 3.304 angstrom around the center atom at index 20 by [ 1.062 -0.448 -0.398] 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... |
MoveAroundAtomAction | 7b3dd5a9-c9c9-454a-ac22-7353fff8d5fa | mp-19484 | Move all surrounding atoms within 3.204 angstrom around the center atom at index 2 by [ 3.959 -0.341 0.639] 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... |
MoveAroundAtomAction | 052baf61-1263-4e23-bb9b-0ebc64883226 | mp-1376216 | Move all surrounding atoms within 2.956 angstrom around the center atom at index 11 by [ 1.464 -1.974 0.628] 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... |
MoveAroundAtomAction | 1668290b-a260-40b6-882d-2936b24658ff | mp-1045114 | Move all surrounding atoms within 2.893 angstrom around the center atom at index 12 by [-3.004 -1.03 3.603] 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... |
MoveAroundAtomAction | 8d9461c4-6e0e-4430-81e4-bc33b0b294bb | mp-758643 | Move all surrounding atoms within 3.325 angstrom around the center atom at index 16 by [-1.663 1.735 -2.159] 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... |
MoveAroundAtomAction | 71e80388-aa88-4af0-adb1-17da8a8126ff | mp-6606 | Move all surrounding atoms within 3.936 angstrom around the center atom at index 13 by [-0.578 -5.091 2.231] 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... |
MoveAroundAtomAction | 2935416e-0577-4c7c-a633-dbcb69ac2d39 | mp-1245698 | Move all surrounding atoms within 3.741 angstrom around the center atom at index 14 by [-0.409 -1.29 -0.522] 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... |
MoveAroundAtomAction | 8181e19d-8f32-47bf-89e7-9e91600d4a5b | mp-625941 | Move all surrounding atoms within 1.942 angstrom around the center atom at index 1 by [ 1.705 -1.891 -0.481] 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... |
MoveAroundAtomAction | 3344c4e2-4407-42cb-8398-1225656df7c4 | mp-777836 | Move all surrounding atoms within 3.274 angstrom around the center atom at index 41 by [-0.134 0.644 -2.062] 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
_... |
MoveAroundAtomAction | e21d5ea0-ca6c-41fb-a5dd-a7c89c923aab | mp-570405 | Move all surrounding atoms within 3.128 angstrom around the center atom at index 2 by [ 2.519 0.753 -2.816] 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... |
MoveAroundAtomAction | 197adb0f-f12c-45db-9a78-4b92ce98a7d0 | mp-1111469 | Move all surrounding atoms within 2.636 angstrom around the center atom at index 8 by [ 3.333 -1.297 -4.256] 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... |
MoveAroundAtomAction | c71d6a64-45c4-40d1-9260-258bb16e4a81 | mp-1202046 | Move all surrounding atoms within 3.908 angstrom around the center atom at index 12 by [ 2.297 -1.474 -1.042] 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... |
MoveAroundAtomAction | b090690e-f265-455f-b5e2-d2c1bcb0b64d | mp-1203429 | Move all surrounding atoms within 3.329 angstrom around the center atom at index 26 by [0.069 3.015 0.628] 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... |
MoveAroundAtomAction | 45fb7b57-0e53-424a-834d-355d4d1ae554 | mp-1074916 | Move all surrounding atoms within 3.482 angstrom around the center atom at index 1 by [-4.722 -1.036 -2.024] 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... |
MoveAroundAtomAction | b53c53c1-cb17-4d3c-b2be-02bc300371db | mp-1233723 | Move all surrounding atoms within 2.248 angstrom around the center atom at index 1 by [ 0.497 -1.532 -1.551] 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... |
MoveAroundAtomAction | 66575034-7625-4cb5-9cde-a91bd3118600 | mp-703316 | Move all surrounding atoms within 2.436 angstrom around the center atom at index 24 by [-3.499 0.701 -0.016] 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... |
MoveAroundAtomAction | 9bdba6ee-e225-4bc2-a272-185839dffa95 | mp-1202826 | Move all surrounding atoms within 3.576 angstrom around the center atom at index 6 by [3.203 1.105 3.119] 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... |
MoveAroundAtomAction | 2643d680-642f-4b6c-b582-bfe994ff09bc | mp-1210721 | Move all surrounding atoms within 3.848 angstrom around the center atom at index 4 by [ 1.292 -2.001 -1.085] 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... |
MoveAroundAtomAction | ec63b701-4735-4627-8bf2-79fbb2bcb8ff | mp-866810 | Move all surrounding atoms within 3.017 angstrom around the center atom at index 2 by [2.391 1.349 1.456] 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 ... |
MoveAroundAtomAction | 7d387969-64e4-433e-ba8e-e44880f2ff32 | mp-1104734 | Move all surrounding atoms within 2.746 angstrom around the center atom at index 5 by [-2.667 5.712 2.692] 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_... |
MoveAroundAtomAction | 853cca71-2da5-41f6-bb73-3d90874eec8d | mp-1234724 | Move all surrounding atoms within 3.893 angstrom around the center atom at index 28 by [-0.984 1.464 0.608] 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... |
MoveAroundAtomAction | 2fbe90ec-5ffa-4e4c-ae41-2969d805a1a9 | mp-1101228 | Move all surrounding atoms within 3.184 angstrom around the center atom at index 12 by [0.786 2.609 1.556] 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"
... |
MoveAroundAtomAction | 77cad9d0-6e95-4161-ace2-ba79ea91015f | mp-1104537 | Move all surrounding atoms within 3.245 angstrom around the center atom at index 0 by [ 2.159 -0.221 0.991] 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... |
MoveAroundAtomAction | 7f4c12e1-56b0-41d5-953f-83c6d0faa780 | mp-545706 | Move all surrounding atoms within 3.913 angstrom around the center atom at index 0 by [3.006 1.612 1.727] 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... |
MoveAroundAtomAction | 1f7b554b-a846-44ac-9102-5b1a1d41874a | mp-1191832 | Move all surrounding atoms within 3.457 angstrom around the center atom at index 3 by [ 2.061 -1.737 0.266] 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... |
MoveAroundAtomAction | 014ac10f-5502-48f5-8c8d-89dd45fd2589 | mp-754658 | Move all surrounding atoms within 3.694 angstrom around the center atom at index 7 by [-1.019 1.543 -0.846] 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... |
MoveAroundAtomAction | 73d019be-a27c-4ae9-83f6-1ef51d8bbb5f | mp-17822 | Move all surrounding atoms within 1.87 angstrom around the center atom at index 20 by [ 0.552 2.761 -0.88 ] 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... |
MoveAroundAtomAction | 4f60258a-8b2a-429e-964c-2fc87443f1fa | mp-1026735 | Move all surrounding atoms within 3.797 angstrom around the center atom at index 10 by [-1.679 -0.088 -3.168] 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... |
MoveAroundAtomAction | 37c051c6-9fcf-4a91-8ae8-c812dbb3705e | mp-558603 | Move all surrounding atoms within 2.824 angstrom around the center atom at index 20 by [-3.15 3.06 -3.498] 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... |
MoveAroundAtomAction | 748534c8-29b9-4d9d-91e6-f0a171efd3b4 | mp-754012 | Move all surrounding atoms within 1.875 angstrom around the center atom at index 9 by [-0.502 0.328 2.121] 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... |
MoveAroundAtomAction | 72849261-4d15-443b-9ccd-2db7b510ed16 | mp-1026930 | Move all surrounding atoms within 3.159 angstrom around the center atom at index 8 by [-2.869 0.719 -0.39 ] 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... |
MoveAroundAtomAction | f6209c1f-1972-4eb0-b64a-15fd6f9e0916 | mp-1041539 | Move all surrounding atoms within 2.832 angstrom around the center atom at index 8 by [-0.878 -2.805 1.296] 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... |
MoveAroundAtomAction | dbcb49bd-f690-4056-9a8b-9b26c797676d | mp-543011 | Move all surrounding atoms within 3.465 angstrom around the center atom at index 2 by [ 0.503 3.46 -3.214] 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_... |
MoveAroundAtomAction | 807467a8-a4b0-4aa0-83b8-5baef53e2d1e | mp-1029915 | Move all surrounding atoms within 2.596 angstrom around the center atom at index 0 by [ 0.449 -3.584 1.308] 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"... |
MoveAroundAtomAction | 2b44bbc5-76f6-49b8-a462-b0dba34a88d8 | mp-760977 | Move all surrounding atoms within 3.568 angstrom around the center atom at index 10 by [ 3.953 -4.526 1.631] 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_... |
MoveAroundAtomAction | eda05105-c0a4-49e2-93b9-6ad47baec3db | mp-1209044 | Move all surrounding atoms within 3.257 angstrom around the center atom at index 15 by [-1.506 2.076 -1.4 ] 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"... |
MoveAroundAtomAction | 62f685f1-d72d-4e7d-a7b2-395365b68c65 | mp-675770 | Move all surrounding atoms within 2.428 angstrom around the center atom at index 2 by [-0.12 0.195 1.349] 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... |
MoveAroundAtomAction | 056a7190-1d05-47b2-8521-5ff7472a2d06 | mp-1147737 | Move all surrounding atoms within 3.05 angstrom around the center atom at index 4 by [-1.629 -2.057 0.754] 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... |
MoveAroundAtomAction | e494da40-ad25-4b72-a9e0-8c0762f00f2e | mp-693620 | Move all surrounding atoms within 2.586 angstrom around the center atom at index 6 by [-0.025 -2.555 0.626] 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... |
MoveAroundAtomAction | bb6cf1ac-31c8-4981-9e35-57d821dbf5e0 | mp-1573889 | Move all surrounding atoms within 2.749 angstrom around the center atom at index 12 by [0.872 1.427 2.238] 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
... |
MoveAroundAtomAction | 7000b269-c803-469b-878c-7682b79da540 | mp-1203061 | Move all surrounding atoms within 2.424 angstrom around the center atom at index 33 by [ 4.658 -1.191 -1.068] 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... |
MoveAroundAtomAction | 1b84ed53-2caa-4e86-8f51-e3a315543102 | mp-2231186 | Move all surrounding atoms within 3.561 angstrom around the center atom at index 4 by [-0.625 -0.711 0.647] 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... |
MoveAroundAtomAction | 4c8dc7de-b510-4eb5-95d3-ac1c6e925167 | mp-761710 | Move all surrounding atoms within 3.486 angstrom around the center atom at index 7 by [-2.47 -0.007 -2.825] 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
... |
MoveAroundAtomAction | 64848e94-8123-4f4a-a715-c01f36dff739 | mp-1746 | Move all surrounding atoms within 2.473 angstrom around the center atom at index 8 by [ 0.073 -2.603 -0.078] 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... |
MoveAroundAtomAction | 430ce021-e2b0-42cf-86b0-22d93beefed3 | mp-1228452 | Move all surrounding atoms within 3.563 angstrom around the center atom at index 18 by [ 1.67 -0.948 -5.097] 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... |
MoveAroundAtomAction | dabee47d-b5f6-414b-bb6a-fe91d27921b3 | mp-28802 | Move all surrounding atoms within 3.675 angstrom around the center atom at index 14 by [-0.069 -0.04 -4.066] 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... |
MoveAroundAtomAction | 830bb06a-f598-4763-9c1f-0376ccee7a82 | mp-754293 | Move all surrounding atoms within 2.549 angstrom around the center atom at index 10 by [-3.291 0.871 3.496] 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... |
MoveAroundAtomAction | a42a8275-5072-4e3a-935a-1df9835497fc | mp-752419 | Move all surrounding atoms within 3.928 angstrom around the center atom at index 23 by [ 0.306 -0.164 1.707] 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"... |
MoveAroundAtomAction | 7f307fb5-3482-40c0-a4c0-7f5d9ad66def | mp-28251 | Move all surrounding atoms within 2.765 angstrom around the center atom at index 13 by [-1.369 -1.149 -2.102] 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... |
MoveAroundAtomAction | 9285f693-021e-4a9c-887d-6326eecec524 | mp-1045008 | Move all surrounding atoms within 3.762 angstrom around the center atom at index 1 by [-0.781 -1.053 0.047] 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... |
MoveAroundAtomAction | cd0c338c-6438-4a76-b391-a2af34dde69b | mp-1213522 | Move all surrounding atoms within 3.976 angstrom around the center atom at index 42 by [ 1.391 -0.572 1.043] 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_... |
MoveAroundAtomAction | eac6bf40-68da-448f-890c-4bbed8e05e9e | mp-1040411 | Move all surrounding atoms within 2.908 angstrom around the center atom at index 13 by [-2.491 -2.03 0.727] 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
... |
MoveAroundAtomAction | d6e1e03b-c992-4f25-81ac-e4c49012c067 | mp-1201281 | Move all surrounding atoms within 2.292 angstrom around the center atom at index 14 by [-2.38 -0.887 -1.907] 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... |
MoveAroundAtomAction | 1c2c7005-7baa-49fe-a74e-bd7810c47edd | mp-754915 | Move all surrounding atoms within 3.24 angstrom around the center atom at index 0 by [-1.136 -0.83 -6.393] 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... |
MoveAroundAtomAction | b52a6b6b-41c5-49d9-9459-9c6038171c3d | mp-1193985 | Move all surrounding atoms within 3.143 angstrom around the center atom at index 7 by [ 4.309 -2.592 1.809] 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
... |
MoveAroundAtomAction | 141711cd-4f2a-4188-9728-d8d01964a29c | mp-1042619 | Move all surrounding atoms within 2.641 angstrom around the center atom at index 3 by [ 1.062 -3.171 0.197] 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... |
MoveAroundAtomAction | f5a59334-9df4-4e37-b659-e6cc92bb2e6b | mp-1226835 | Move all surrounding atoms within 3.41 angstrom around the center atom at index 2 by [ 0.235 0.879 -0.826] 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 ... |
MoveAroundAtomAction | f78acfb5-acb7-402d-8548-f808dd77ad63 | mp-7152 | Move all surrounding atoms within 3.934 angstrom around the center atom at index 2 by [-1.357 0.512 -2.418] 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 ... |
MoveAroundAtomAction | 4620a9cf-a2df-4862-b2c4-3b0abeb65222 | mp-768946 | Move all surrounding atoms within 3.998 angstrom around the center atom at index 27 by [ 0.498 -1.216 -1.127] 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... |
MoveAroundAtomAction | 6cb85d6b-dd3e-451d-879e-5591ac93850c | mp-1180605 | Move all surrounding atoms within 3.445 angstrom around the center atom at index 27 by [-3.366 -0.425 2.586] 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... |
MoveAroundAtomAction | f11e4cc1-e6e4-48ba-8a38-50873ca01c45 | mp-754936 | Move all surrounding atoms within 2.019 angstrom around the center atom at index 3 by [0.312 1.333 2.331] 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-... |
MoveAroundAtomAction | 194ea88d-111f-403b-a95b-b5819e7bad5d | mp-1200529 | Move all surrounding atoms within 3.256 angstrom around the center atom at index 9 by [-0.459 -2.1 0.534] 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... |
MoveAroundAtomAction | df19c025-05b9-4d21-97d1-55df3a9de99b | mp-542449 | Move all surrounding atoms within 3.017 angstrom around the center atom at index 0 by [-1.108 2.669 -0.03 ] 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_... |
MoveAroundAtomAction | cec74ce3-67c1-4f42-be1f-4863a2cd955c | mp-22106 | Move all surrounding atoms within 3.758 angstrom around the center atom at index 0 by [-1.497 4.043 1.564] 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... |
MoveAroundAtomAction | dcb29338-3f4d-4a52-81e9-d0a8d51fc773 | mp-759390 | Move all surrounding atoms within 3.546 angstrom around the center atom at index 57 by [ 3.32 0.529 -1.254] 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 ... |
MoveAroundAtomAction | 91aa7b6e-9832-4867-8c52-f3e9387fd3e5 | mp-780531 | Move all surrounding atoms within 3.037 angstrom around the center atom at index 49 by [ 2.145 -0.129 -1.187] 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... |
MoveAroundAtomAction | ec16b71c-84f9-4add-922e-026313302e85 | mp-1225344 | Move all surrounding atoms within 2.507 angstrom around the center atom at index 19 by [-0.27 -1.137 -1.399] 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... |
MoveAroundAtomAction | 2c3c6109-b69b-4281-af20-231163b3f419 | mp-1522797 | Move all surrounding atoms within 3.372 angstrom around the center atom at index 2 by [-1.973 0.837 1.036] 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... |
MoveAroundAtomAction | a521f2d1-f74d-4d33-99d6-6028666fc1e4 | mp-2426125 | Move all surrounding atoms within 3.956 angstrom around the center atom at index 14 by [ 0.054 -0.325 1.615] 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... |
MoveAroundAtomAction | d16cfa1b-e752-491b-b7d5-a80064c859db | mp-3073 | Move all surrounding atoms within 3.43 angstrom around the center atom at index 22 by [ 3.065 -0.704 -0.969] 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... |
MoveAroundAtomAction | 9f442747-3810-4a1a-b29b-7bf5d2854052 | mp-1043368 | Move all surrounding atoms within 2.205 angstrom around the center atom at index 14 by [-1.123 1.801 0.834] 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 ... |
MoveAroundAtomAction | bce5ae05-cd5d-4bf4-b48a-1211d0dabbba | mp-698134 | Move all surrounding atoms within 2.853 angstrom around the center atom at index 35 by [-1.709 -0.915 2.705] 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_... |
MoveAroundAtomAction | d5d42474-b921-4677-9ed9-7027d1bec09a | mp-1516503 | Move all surrounding atoms within 2.289 angstrom around the center atom at index 1 by [-0.319 -1.022 -0.34 ] 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... |
MoveAroundAtomAction | 5689bfc9-a007-4b31-907c-a94db468a38c | mp-1105549 | Move all surrounding atoms within 3.823 angstrom around the center atom at index 8 by [3.451 1.084 2.122] 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... |
MoveAroundAtomAction | e668066a-b43d-48c8-b4fe-5c9aa61eddef | mp-1193899 | Move all surrounding atoms within 3.692 angstrom around the center atom at index 27 by [-6.325 2.839 -0.232] 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... |
MoveAroundAtomAction | 29f7566d-158b-4db1-866e-847ec453167d | mp-1216402 | Move all surrounding atoms within 3.773 angstrom around the center atom at index 28 by [-4.59 -1.822 -5.386] 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... |
MoveAroundAtomAction | 88c19f32-4a3e-4de0-85d3-7f1370d1daa6 | mp-555792 | Move all surrounding atoms within 3.407 angstrom around the center atom at index 9 by [0.47 0.517 1.705] 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
... |
MoveAroundAtomAction | 854e806a-2799-4d1e-8f60-2f08bac56241 | mp-613620 | Move all surrounding atoms within 3.538 angstrom around the center atom at index 32 by [0.098 0.143 0.278] 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... |
MoveAroundAtomAction | 570157e8-16b8-4ff8-b311-a119c99cf35f | mp-1195683 | Move all surrounding atoms within 3.231 angstrom around the center atom at index 4 by [-1.931 -0.161 2.813] 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 ... |
MoveAroundAtomAction | efca1a6c-2328-46c5-9ed3-3b08fc3a204b | mp-753883 | Move all surrounding atoms within 2.392 angstrom around the center atom at index 9 by [-3.115 -2.557 0.297] 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... |
MoveAroundAtomAction | ddb20303-d569-4957-84ce-7d45baffe70e | mp-1031226 | Move all surrounding atoms within 3.933 angstrom around the center atom at index 1 by [-2.018 1.355 -1.551] 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"
_... |
MoveAroundAtomAction | 2bf26a86-76c9-4583-93c3-3c638e76a786 | mp-1238897 | Move all surrounding atoms within 3.324 angstrom around the center atom at index 16 by [ 2.127 -0.348 -2.714] 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... |
MoveAroundAtomAction | 6221bb3f-a21b-40e9-a2aa-18ebc402f8a8 | mp-1182886 | Move all surrounding atoms within 3.238 angstrom around the center atom at index 8 by [-3.262 0.069 2.422] 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"
... |
MoveAroundAtomAction | 62303e3e-06fe-49ae-be03-bfadf3764981 | mp-780571 | Move all surrounding atoms within 3.944 angstrom around the center atom at index 6 by [ 2.035 1.406 -1.014] 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... |
MoveAroundAtomAction | be7042e8-b7c4-44b1-ba26-17cbe61f9f93 | mp-1210244 | Move all surrounding atoms within 3.086 angstrom around the center atom at index 32 by [2.562 0.384 2.435] 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... |
MoveAroundAtomAction | e1084e49-516a-431d-a6e5-d1f22a67f532 | mp-1094113 | Move all surrounding atoms within 3.535 angstrom around the center atom at index 16 by [4.222 2.137 1.446] 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... |
MoveAroundAtomAction | 4bd2edb1-8471-49db-bfc9-00903456efa3 | mp-1192032 | Move all surrounding atoms within 3.343 angstrom around the center atom at index 17 by [-1.662 -0.382 -0.169] 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... |
MoveAroundAtomAction | b0715082-785a-4ede-9768-abaddf4a7311 | mp-2232164 | Move all surrounding atoms within 3.095 angstrom around the center atom at index 4 by [-0.765 0.868 -2.25 ] 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... |
MoveAroundAtomAction | 29d42072-0397-4656-805a-d4157d2c6dbe | mp-1223746 | Move all surrounding atoms within 2.41 angstrom around the center atom at index 20 by [ 1.133 0.841 -0.074] 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... |
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