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 | 5e119a51-dd2a-486a-8e42-71b2b4160ad6 | mp-1104069 | Move all surrounding atoms within 2.626 angstrom around the center atom at index 7 by [-0.783 2.338 0.289] angstrom in the cif file. | data_image0
_chemical_formula_structural Y2Ni8As4
_chemical_formula_sum "Y2 Ni8 As4"
_cell_length_a 7.20676801
_cell_length_b 7.20676801
_cell_length_c 3.73949047
_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 Y2Ni8As4
_chemical_formula_sum "Y2 Ni8 As4"
_cell_length_a 7.20676801
_cell_length_b 7.20676801
_cell_length_c 3.73949047
_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 | 425226e4-0ce1-4b77-9a78-15f659f2a66b | mp-1211390 | Move all surrounding atoms within 20.131 angstrom around the center atom at index 1 by [-0.166 1.258 -2.266] angstrom in the cif file. | data_image0
_chemical_formula_structural Te7As6
_chemical_formula_sum "Te7 As6"
_cell_length_a 14.03875547
_cell_length_b 13.27688533
_cell_length_c 104.17872583
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.91709385999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Te7As6
_chemical_formula_sum "Te7 As6"
_cell_length_a 14.03875547
_cell_length_b 13.27688533
_cell_length_c 104.17872583
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.91709385999998
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | be28eb45-533a-43d5-b94f-f32ea25e9787 | mp-1026902 | Move all surrounding atoms within 3.918 angstrom around the center atom at index 0 by [ 1.573 -3.979 -1.241] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14CuB
_chemical_formula_sum "Mg14 Cu1 B1"
_cell_length_a 6.21930327
_cell_length_b 6.273270720000001
_cell_length_c 9.98555831
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.28746915
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg14CuB
_chemical_formula_sum "Mg14 Cu1 B1"
_cell_length_a 6.21930327
_cell_length_b 6.273270720000001
_cell_length_c 9.98555831
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.28746915
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | 098e126f-08cc-4966-bb19-3056f2afa5aa | mp-984755 | Move all surrounding atoms within 2.184 angstrom around the center atom at index 15 by [ 2.367 -1.068 -0.713] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb8Ag4O22
_chemical_formula_sum "Nb8 Ag4 O22"
_cell_length_a 13.2430866
_cell_length_b 13.243086600000002
_cell_length_c 13.24308617
_cell_angle_alpha 27.34979933000001
_cell_angle_beta 27.349799329999986
_cell_angle_gamma 27.349797... | data_image0
_chemical_formula_structural Nb8Ag4O22
_chemical_formula_sum "Nb8 Ag4 O22"
_cell_length_a 13.2430866
_cell_length_b 13.243086600000002
_cell_length_c 13.24308617
_cell_angle_alpha 27.34979933000001
_cell_angle_beta 27.349799329999986
_cell_angle_gamma 27.349797... |
MoveAroundAtomAction | 63dd6171-18e5-44ef-a186-4fcc7d79fcb9 | mp-756100 | Move all surrounding atoms within 2.403 angstrom around the center atom at index 0 by [-1.816 3.262 0.721] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Fe2F8
_chemical_formula_sum "Li2 Fe2 F8"
_cell_length_a 6.05218545
_cell_length_b 6.05218545
_cell_length_c 5.32375247
_cell_angle_alpha 87.10378728000002
_cell_angle_beta 87.10378728000002
_cell_angle_gamma 55.89357918
_space_g... | data_image0
_chemical_formula_structural Li2Fe2F8
_chemical_formula_sum "Li2 Fe2 F8"
_cell_length_a 6.05218545
_cell_length_b 6.05218545
_cell_length_c 5.32375247
_cell_angle_alpha 87.10378728000002
_cell_angle_beta 87.10378728000002
_cell_angle_gamma 55.89357918
_space_g... |
MoveAroundAtomAction | 7f49c0c6-96c9-48e7-904e-194c6d7ff7d4 | mp-1216993 | Move all surrounding atoms within 3.139 angstrom around the center atom at index 4 by [ 0.393 -2.578 -1.25 ] angstrom in the cif file. | data_image0
_chemical_formula_structural U2Co3CuGe4
_chemical_formula_sum "U2 Co3 Cu1 Ge4"
_cell_length_a 4.061368
_cell_length_b 4.061368
_cell_length_c 9.806505
_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 U2Co3CuGe4
_chemical_formula_sum "U2 Co3 Cu1 Ge4"
_cell_length_a 4.061368
_cell_length_b 4.061368
_cell_length_c 9.806505
_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 | fa66f78d-389f-4973-9e26-0bb46ae3b69d | mp-1229042 | Move all surrounding atoms within 3.396 angstrom around the center atom at index 18 by [ 1.981 2.288 -0.67 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Al9Fe2Si4O24
_chemical_formula_sum "Al9 Fe2 Si4 O24"
_cell_length_a 9.27066262
_cell_length_b 9.27066262
_cell_length_c 5.71036493
_cell_angle_alpha 89.69804354
_cell_angle_beta 89.69804354
_cell_angle_gamma 129.63019072
_space_gro... | data_image0
_chemical_formula_structural Al9Fe2Si4O24
_chemical_formula_sum "Al9 Fe2 Si4 O24"
_cell_length_a 9.27066262
_cell_length_b 9.27066262
_cell_length_c 5.71036493
_cell_angle_alpha 89.69804354
_cell_angle_beta 89.69804354
_cell_angle_gamma 129.63019072
_space_gro... |
MoveAroundAtomAction | f42b73d1-04b7-4f26-8bea-028cd3eadfac | mp-758894 | Move all surrounding atoms within 2.599 angstrom around the center atom at index 26 by [-1.302 -4.196 1.384] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Ti2Te6O24
_chemical_formula_sum "Li4 Ti2 Te6 O24"
_cell_length_a 8.520907
_cell_length_b 7.079706
_cell_length_c 7.29606655
_cell_angle_alpha 87.35303227000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Li4Ti2Te6O24
_chemical_formula_sum "Li4 Ti2 Te6 O24"
_cell_length_a 8.520907
_cell_length_b 7.079706
_cell_length_c 7.29606655
_cell_angle_alpha 87.35303227000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
MoveAroundAtomAction | df4d7bc9-64a6-4283-8f6a-a32417657030 | mp-1196371 | Move all surrounding atoms within 2.986 angstrom around the center atom at index 17 by [-1.165 0.66 -3.534] angstrom in the cif file. | data_image0
_chemical_formula_structural Ce2Cu12P6O42
_chemical_formula_sum "Ce2 Cu12 P6 O42"
_cell_length_a 5.769265
_cell_length_b 13.090704
_cell_length_c 13.12293819
_cell_angle_alpha 60.443047209999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Ce2Cu12P6O42
_chemical_formula_sum "Ce2 Cu12 P6 O42"
_cell_length_a 5.769265
_cell_length_b 13.090704
_cell_length_c 13.12293819
_cell_angle_alpha 60.443047209999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
MoveAroundAtomAction | 6b9bd969-3478-48d3-8525-3427c56c53b1 | mp-1209763 | Move all surrounding atoms within 3.556 angstrom around the center atom at index 0 by [-0.273 -0.408 1.82 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb8Eu4F20
_chemical_formula_sum "Rb8 Eu4 F20"
_cell_length_a 7.019993
_cell_length_b 7.75779
_cell_length_c 11.718263
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural Rb8Eu4F20
_chemical_formula_sum "Rb8 Eu4 F20"
_cell_length_a 7.019993
_cell_length_b 7.75779
_cell_length_c 11.718263
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... |
MoveAroundAtomAction | 4a9d61f4-41a9-404c-812b-2b51e594b99e | mp-1188770 | Move all surrounding atoms within 3.299 angstrom around the center atom at index 12 by [-2.591 0.396 -3.716] angstrom in the cif file. | data_image0
_chemical_formula_structural Er12Co4
_chemical_formula_sum "Er12 Co4"
_cell_length_a 6.104596
_cell_length_b 6.838953
_cell_length_c 9.285942
_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 Er12Co4
_chemical_formula_sum "Er12 Co4"
_cell_length_a 6.104596
_cell_length_b 6.838953
_cell_length_c 9.285942
_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 | 41e99651-57da-4b16-abd4-3806d6f8d9c4 | mp-772660 | Move all surrounding atoms within 3.157 angstrom around the center atom at index 2 by [ 0.044 -2.553 2.006] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb4Cr4O16
_chemical_formula_sum "Nb4 Cr4 O16"
_cell_length_a 4.5187362
_cell_length_b 11.61773218
_cell_length_c 4.91121829
_cell_angle_alpha 89.99995699
_cell_angle_beta 89.998968
_cell_angle_gamma 89.99993829
_space_group_name_H-... | data_image0
_chemical_formula_structural Nb4Cr4O16
_chemical_formula_sum "Nb4 Cr4 O16"
_cell_length_a 4.5187362
_cell_length_b 11.61773218
_cell_length_c 4.91121829
_cell_angle_alpha 89.99995699
_cell_angle_beta 89.998968
_cell_angle_gamma 89.99993829
_space_group_name_H-... |
MoveAroundAtomAction | 284535fc-6ec5-4cc5-9f8c-d9d071d49ba7 | mp-600038 | Move all surrounding atoms within 2.567 angstrom around the center atom at index 8 by [1.05 0.633 0.526] angstrom in the cif file. | data_image0
_chemical_formula_structural Si10O20
_chemical_formula_sum "Si10 O20"
_cell_length_a 13.81934545
_cell_length_b 6.91058365
_cell_length_c 6.41899888
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural Si10O20
_chemical_formula_sum "Si10 O20"
_cell_length_a 13.81934545
_cell_length_b 6.91058365
_cell_length_c 6.41899888
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... |
MoveAroundAtomAction | ba7a0184-aa6c-45f1-aa2f-e6c772e26450 | mp-531064 | Move all surrounding atoms within 3.846 angstrom around the center atom at index 35 by [ 5.025 -0.971 4.186] angstrom in the cif file. | data_image0
_chemical_formula_structural K8Mo24Br56
_chemical_formula_sum "K8 Mo24 Br56"
_cell_length_a 14.128482
_cell_length_b 14.352916
_cell_length_c 14.393337
_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 K8Mo24Br56
_chemical_formula_sum "K8 Mo24 Br56"
_cell_length_a 14.128482
_cell_length_b 14.352916
_cell_length_c 14.393337
_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 | 115c4a14-a4a9-4ee2-bf87-d44bfc1cf07b | mp-1518110 | Move all surrounding atoms within 2.628 angstrom around the center atom at index 6 by [ 2.952 -1.972 -1.082] angstrom in the cif file. | data_image0
_chemical_formula_structural SrEuYCoO6
_chemical_formula_sum "Sr1 Eu1 Y1 Co1 O6"
_cell_length_a 5.70085714
_cell_length_b 5.70085714
_cell_length_c 5.700857139999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99... | data_image0
_chemical_formula_structural SrEuYCoO6
_chemical_formula_sum "Sr1 Eu1 Y1 Co1 O6"
_cell_length_a 5.70085714
_cell_length_b 5.70085714
_cell_length_c 5.700857139999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99... |
MoveAroundAtomAction | da4a071d-bb27-4626-bd16-69263f26f3d6 | mp-1224634 | Move all surrounding atoms within 3.359 angstrom around the center atom at index 5 by [-1.342 1.948 -1.985] angstrom in the cif file. | data_image0
_chemical_formula_structural In9Ga3Bi4S24
_chemical_formula_sum "In9 Ga3 Bi4 S24"
_cell_length_a 3.884257
_cell_length_b 20.47284027
_cell_length_c 12.59901753
_cell_angle_alpha 83.63688405
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural In9Ga3Bi4S24
_chemical_formula_sum "In9 Ga3 Bi4 S24"
_cell_length_a 3.884257
_cell_length_b 20.47284027
_cell_length_c 12.59901753
_cell_angle_alpha 83.63688405
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveAroundAtomAction | 5420061e-1a6d-46d4-b3dd-714242b95e20 | mp-21286 | Move all surrounding atoms within 2.847 angstrom around the center atom at index 3 by [ 1.932 -2.664 -2.771] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn4Co4Ge4
_chemical_formula_sum "Mn4 Co4 Ge4"
_cell_length_a 3.82385196
_cell_length_b 5.9037076
_cell_length_c 6.901116699999999
_cell_angle_alpha 89.99795725
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mn4Co4Ge4
_chemical_formula_sum "Mn4 Co4 Ge4"
_cell_length_a 3.82385196
_cell_length_b 5.9037076
_cell_length_c 6.901116699999999
_cell_angle_alpha 89.99795725
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | 8bdc0e03-3dff-4b86-a043-0a963e0223ac | mp-1111080 | Move all surrounding atoms within 2.778 angstrom around the center atom at index 5 by [ 1.003 2.774 -0.956] angstrom in the cif file. | data_image0
_chemical_formula_structural K3GaF6
_chemical_formula_sum "K3 Ga1 F6"
_cell_length_a 6.15047484
_cell_length_b 6.15047484
_cell_length_c 6.15047484
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_spa... | data_image0
_chemical_formula_structural K3GaF6
_chemical_formula_sum "K3 Ga1 F6"
_cell_length_a 6.15047484
_cell_length_b 6.15047484
_cell_length_c 6.15047484
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_spa... |
MoveAroundAtomAction | ea63881f-80b7-4441-ba21-a17e5691a456 | mp-1237261 | Move all surrounding atoms within 3.903 angstrom around the center atom at index 13 by [1.582 1.379 0.484] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba3MnF12
_chemical_formula_sum "Ba3 Mn1 F12"
_cell_length_a 8.16736363
_cell_length_b 8.16736363
_cell_length_c 6.800095679999999
_cell_angle_alpha 88.67356185
_cell_angle_beta 88.67356185
_cell_angle_gamma 119.35473064
_space_grou... | data_image0
_chemical_formula_structural Ba3MnF12
_chemical_formula_sum "Ba3 Mn1 F12"
_cell_length_a 8.16736363
_cell_length_b 8.16736363
_cell_length_c 6.800095679999999
_cell_angle_alpha 88.67356185
_cell_angle_beta 88.67356185
_cell_angle_gamma 119.35473064
_space_grou... |
MoveAroundAtomAction | 6941e94b-ac8f-4738-88f3-2ee95a5db115 | mp-1198355 | Move all surrounding atoms within 2.951 angstrom around the center atom at index 7 by [-0.256 -1.07 2.411] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr4B22O44
_chemical_formula_sum "Sr4 B22 O44"
_cell_length_a 20.953108
_cell_length_b 6.71541
_cell_length_c 6.74694107
_cell_angle_alpha 60.48476556999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Sr4B22O44
_chemical_formula_sum "Sr4 B22 O44"
_cell_length_a 20.953108
_cell_length_b 6.71541
_cell_length_c 6.74694107
_cell_angle_alpha 60.48476556999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveAroundAtomAction | d56b5e05-a248-41e3-8785-60b901fdb7f1 | mp-1519604 | Move all surrounding atoms within 3.785 angstrom around the center atom at index 9 by [ 0.507 -0.748 0.888] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr4Eu2W2O12
_chemical_formula_sum "Sr4 Eu2 W2 O12"
_cell_length_a 5.88026664
_cell_length_b 6.07182821
_cell_length_c 8.43527617
_cell_angle_alpha 89.97895811
_cell_angle_beta 90.46221734
_cell_angle_gamma 89.98973499
_space_group_... | data_image0
_chemical_formula_structural Sr4Eu2W2O12
_chemical_formula_sum "Sr4 Eu2 W2 O12"
_cell_length_a 5.88026664
_cell_length_b 6.07182821
_cell_length_c 8.43527617
_cell_angle_alpha 89.97895811
_cell_angle_beta 90.46221734
_cell_angle_gamma 89.98973499
_space_group_... |
MoveAroundAtomAction | 95cc7adc-a5c6-450f-9bfa-0bd29e498865 | mp-753615 | Move all surrounding atoms within 2.923 angstrom around the center atom at index 10 by [-0.68 0.629 2.25 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li3Mn3O4F4
_chemical_formula_sum "Li3 Mn3 O4 F4"
_cell_length_a 5.80379245
_cell_length_b 6.04470894
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_gamma 118.69020598
_space_group_n... | data_image0
_chemical_formula_structural Li3Mn3O4F4
_chemical_formula_sum "Li3 Mn3 O4 F4"
_cell_length_a 5.80379245
_cell_length_b 6.04470894
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_gamma 118.69020598
_space_group_n... |
MoveAroundAtomAction | 612d9b6b-c20e-4112-b497-88aca100adcd | mp-14550 | Move all surrounding atoms within 2.502 angstrom around the center atom at index 15 by [-2.101 1.732 -3.456] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti4Cd4O12
_chemical_formula_sum "Ti4 Cd4 O12"
_cell_length_a 5.369678
_cell_length_b 5.486639
_cell_length_c 7.718095
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural Ti4Cd4O12
_chemical_formula_sum "Ti4 Cd4 O12"
_cell_length_a 5.369678
_cell_length_b 5.486639
_cell_length_c 7.718095
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... |
MoveAroundAtomAction | 20a0f8be-d477-47e3-9fe0-39f323b9cc8d | mp-753161 | Move all surrounding atoms within 2.168 angstrom around the center atom at index 19 by [ 4.365 2.365 -0.803] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8V4O8F8
_chemical_formula_sum "Li8 V4 O8 F8"
_cell_length_a 5.84904216
_cell_length_b 10.165467960000003
_cell_length_c 5.97356504
_cell_angle_alpha 106.60283058
_cell_angle_beta 60.71069946
_cell_angle_gamma 90.03257767
_space_g... | data_image0
_chemical_formula_structural Li8V4O8F8
_chemical_formula_sum "Li8 V4 O8 F8"
_cell_length_a 5.84904216
_cell_length_b 10.165467960000003
_cell_length_c 5.97356504
_cell_angle_alpha 106.60283058
_cell_angle_beta 60.71069946
_cell_angle_gamma 90.03257767
_space_g... |
MoveAroundAtomAction | 8a2b9882-9573-4a82-bbf6-48fd41cf86e9 | mp-677070 | Move all surrounding atoms within 2.599 angstrom around the center atom at index 42 by [ 0.494 -1.695 -1.962] angstrom in the cif file. | data_image0
_chemical_formula_structural V18Ni2O30
_chemical_formula_sum "V18 Ni2 O30"
_cell_length_a 7.534096
_cell_length_b 8.8214313
_cell_length_c 9.09382388
_cell_angle_alpha 80.76396242
_cell_angle_beta 71.80909095
_cell_angle_gamma 67.0160077
_space_group_name_H-M_... | data_image0
_chemical_formula_structural V18Ni2O30
_chemical_formula_sum "V18 Ni2 O30"
_cell_length_a 7.534096
_cell_length_b 8.8214313
_cell_length_c 9.09382388
_cell_angle_alpha 80.76396242
_cell_angle_beta 71.80909095
_cell_angle_gamma 67.0160077
_space_group_name_H-M_... |
MoveAroundAtomAction | 22977834-acbf-4f3e-a707-7c2af9362f75 | mp-23675 | Move all surrounding atoms within 3.039 angstrom around the center atom at index 9 by [0.157 0.722 4.858] angstrom in the cif file. | data_image0
_chemical_formula_structural H8Br2N2
_chemical_formula_sum "H8 Br2 N2"
_cell_length_a 4.10672895
_cell_length_b 5.7148727
_cell_length_c 5.7148727
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural H8Br2N2
_chemical_formula_sum "H8 Br2 N2"
_cell_length_a 4.10672895
_cell_length_b 5.7148727
_cell_length_c 5.7148727
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... |
MoveAroundAtomAction | ad099e24-2e11-4bbb-828d-8f5d3d4f7337 | mp-761404 | Move all surrounding atoms within 2.146 angstrom around the center atom at index 4 by [0.186 3.561 0.89 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Co10Cu2O16
_chemical_formula_sum "Co10 Cu2 O16"
_cell_length_a 5.70306307
_cell_length_b 9.970635759999999
_cell_length_c 5.7029860900000005
_cell_angle_alpha 73.38625429000001
_cell_angle_beta 119.99147556000001
_cell_angle_gamma 9... | data_image0
_chemical_formula_structural Co10Cu2O16
_chemical_formula_sum "Co10 Cu2 O16"
_cell_length_a 5.70306307
_cell_length_b 9.970635759999999
_cell_length_c 5.7029860900000005
_cell_angle_alpha 73.38625429000001
_cell_angle_beta 119.99147556000001
_cell_angle_gamma 9... |
MoveAroundAtomAction | 03766df2-4eec-47ab-8176-852d85285c25 | mp-30210 | Move all surrounding atoms within 3.43 angstrom around the center atom at index 13 by [-0.345 0.414 0.29 ] angstrom in the cif file. | data_image0
_chemical_formula_structural La10Sn6Cl2
_chemical_formula_sum "La10 Sn6 Cl2"
_cell_length_a 9.64466193
_cell_length_b 9.64465667
_cell_length_c 6.98350171
_cell_angle_alpha 90.00002461
_cell_angle_beta 89.99999048
_cell_angle_gamma 119.99997646999998
_space_gr... | data_image0
_chemical_formula_structural La10Sn6Cl2
_chemical_formula_sum "La10 Sn6 Cl2"
_cell_length_a 9.64466193
_cell_length_b 9.64465667
_cell_length_c 6.98350171
_cell_angle_alpha 90.00002461
_cell_angle_beta 89.99999048
_cell_angle_gamma 119.99997646999998
_space_gr... |
MoveAroundAtomAction | aa31af37-a4f1-4e44-a57b-55c5c9def1ad | mp-1226157 | Move all surrounding atoms within 3.955 angstrom around the center atom at index 16 by [-1.837 3.102 2.331] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2TiW3O12
_chemical_formula_sum "Cs2 Ti1 W3 O12"
_cell_length_a 7.25743517
_cell_length_b 7.25743517
_cell_length_c 7.257435400000001
_cell_angle_alpha 60.40379137000001
_cell_angle_beta 60.40379136999999
_cell_angle_gamma 60.40379... | data_image0
_chemical_formula_structural Cs2TiW3O12
_chemical_formula_sum "Cs2 Ti1 W3 O12"
_cell_length_a 7.25743517
_cell_length_b 7.25743517
_cell_length_c 7.257435400000001
_cell_angle_alpha 60.40379137000001
_cell_angle_beta 60.40379136999999
_cell_angle_gamma 60.40379... |
MoveAroundAtomAction | 3874c325-41cf-4593-9f13-631a54ea4f59 | mp-1177469 | Move all surrounding atoms within 2.571 angstrom around the center atom at index 8 by [ 0.563 -1.318 2.193] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn3Fe3O12
_chemical_formula_sum "Li4 Mn3 Fe3 O12"
_cell_length_a 5.133782
_cell_length_b 6.00692906
_cell_length_c 7.94440924
_cell_angle_alpha 78.7039096
_cell_angle_beta 78.15957972
_cell_angle_gamma 73.05872918
_space_group_n... | data_image0
_chemical_formula_structural Li4Mn3Fe3O12
_chemical_formula_sum "Li4 Mn3 Fe3 O12"
_cell_length_a 5.133782
_cell_length_b 6.00692906
_cell_length_c 7.94440924
_cell_angle_alpha 78.7039096
_cell_angle_beta 78.15957972
_cell_angle_gamma 73.05872918
_space_group_n... |
MoveAroundAtomAction | 2e6b7548-ccc4-49cd-80b7-7453454dd5c5 | mp-1210214 | Move all surrounding atoms within 3.634 angstrom around the center atom at index 11 by [ 0.689 -1.547 -0.951] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2Nb4Bi4O18
_chemical_formula_sum "Na2 Nb4 Bi4 O18"
_cell_length_a 5.58523
_cell_length_b 5.675994
_cell_length_c 12.54198163
_cell_angle_alpha 90.0
_cell_angle_beta 102.86539251
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na2Nb4Bi4O18
_chemical_formula_sum "Na2 Nb4 Bi4 O18"
_cell_length_a 5.58523
_cell_length_b 5.675994
_cell_length_c 12.54198163
_cell_angle_alpha 90.0
_cell_angle_beta 102.86539251
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | e93226cc-5cb9-458d-991e-39e1d209dec3 | mp-4584 | Move all surrounding atoms within 2.235 angstrom around the center atom at index 9 by [-0.737 4.848 1.521] angstrom in the cif file. | data_image0
_chemical_formula_structural Tl6B2O6
_chemical_formula_sum "Tl6 B2 O6"
_cell_length_a 9.28345655
_cell_length_b 9.28345696
_cell_length_c 3.76205605
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999569
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Tl6B2O6
_chemical_formula_sum "Tl6 B2 O6"
_cell_length_a 9.28345655
_cell_length_b 9.28345696
_cell_length_c 3.76205605
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999569
_space_group_name_H-M_alt "P 1"
... |
MoveAroundAtomAction | c4a761b6-0c0e-4201-ad37-8b1118bcbe5c | mp-1105236 | Move all surrounding atoms within 3.519 angstrom around the center atom at index 10 by [-1.298 -2.054 -3.779] angstrom in the cif file. | data_image0
_chemical_formula_structural FeCu6Sn2S8
_chemical_formula_sum "Fe1 Cu6 Sn2 S8"
_cell_length_a 7.773067
_cell_length_b 7.773067
_cell_length_c 5.45241
_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 FeCu6Sn2S8
_chemical_formula_sum "Fe1 Cu6 Sn2 S8"
_cell_length_a 7.773067
_cell_length_b 7.773067
_cell_length_c 5.45241
_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 | 997f558d-c1b2-46bc-a1b2-cf1c8b892442 | mp-1096809 | Move all surrounding atoms within 2.843 angstrom around the center atom at index 24 by [-4.763 -1.915 0.382] angstrom in the cif file. | data_image0
_chemical_formula_structural Al8Zn4S16
_chemical_formula_sum "Al8 Zn4 S16"
_cell_length_a 5.910544
_cell_length_b 7.22181
_cell_length_c 12.474986
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural Al8Zn4S16
_chemical_formula_sum "Al8 Zn4 S16"
_cell_length_a 5.910544
_cell_length_b 7.22181
_cell_length_c 12.474986
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... |
MoveAroundAtomAction | a7e9b3eb-ece9-461d-b72d-7b1e809e8900 | mp-6144 | Move all surrounding atoms within 2.566 angstrom around the center atom at index 11 by [ 1.201 -0.152 -1.831] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2La2Ti3O10
_chemical_formula_sum "Na2 La2 Ti3 O10"
_cell_length_a 14.69641334
_cell_length_b 14.69641334
_cell_length_c 14.696413339999998
_cell_angle_alpha 164.86303529000003
_cell_angle_beta 164.86303529000003
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Na2La2Ti3O10
_chemical_formula_sum "Na2 La2 Ti3 O10"
_cell_length_a 14.69641334
_cell_length_b 14.69641334
_cell_length_c 14.696413339999998
_cell_angle_alpha 164.86303529000003
_cell_angle_beta 164.86303529000003
_cell_angle_gamma ... |
MoveAroundAtomAction | aadedc49-1c7e-42e7-b829-3575bc3f105c | mp-755978 | Move all surrounding atoms within 3.502 angstrom around the center atom at index 14 by [-0.891 -1.086 0.333] angstrom in the cif file. | data_image0
_chemical_formula_structural Ni6O2F10
_chemical_formula_sum "Ni6 O2 F10"
_cell_length_a 5.62698948
_cell_length_b 5.62698948
_cell_length_c 7.28440981
_cell_angle_alpha 72.78738557000001
_cell_angle_beta 72.78738557000001
_cell_angle_gamma 73.13765929
_space_g... | data_image0
_chemical_formula_structural Ni6O2F10
_chemical_formula_sum "Ni6 O2 F10"
_cell_length_a 5.62698948
_cell_length_b 5.62698948
_cell_length_c 7.28440981
_cell_angle_alpha 72.78738557000001
_cell_angle_beta 72.78738557000001
_cell_angle_gamma 73.13765929
_space_g... |
MoveAroundAtomAction | 6c157afb-0055-4ebe-b6ca-15e06948e4b1 | mp-7152 | Move all surrounding atoms within 3.63 angstrom around the center atom at index 5 by [-1.234 -1.113 0.125] 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 | 1af794ea-6a2a-4a7c-857a-cf8395bc563f | mp-758323 | Move all surrounding atoms within 1.582 angstrom around the center atom at index 24 by [ 1.606 -3.765 2.144] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Ti3CoP6O24
_chemical_formula_sum "Li2 Ti3 Co1 P6 O24"
_cell_length_a 8.64736777
_cell_length_b 8.64736777
_cell_length_c 8.6473677
_cell_angle_alpha 59.35002677
_cell_angle_beta 59.35002677
_cell_angle_gamma 59.35002351
_space_g... | data_image0
_chemical_formula_structural Li2Ti3CoP6O24
_chemical_formula_sum "Li2 Ti3 Co1 P6 O24"
_cell_length_a 8.64736777
_cell_length_b 8.64736777
_cell_length_c 8.6473677
_cell_angle_alpha 59.35002677
_cell_angle_beta 59.35002677
_cell_angle_gamma 59.35002351
_space_g... |
MoveAroundAtomAction | b1a2164a-5d56-466c-9457-3c5c4f0e5ecd | mp-30524 | Move all surrounding atoms within 3.245 angstrom around the center atom at index 27 by [-1.687 0.609 2.353] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti12O22
_chemical_formula_sum "Ti12 O22"
_cell_length_a 5.56435157
_cell_length_b 7.12801541
_cell_length_c 9.73572192
_cell_angle_alpha 89.90935394
_cell_angle_beta 100.53000427
_cell_angle_gamma 108.49487590999999
_space_group_na... | data_image0
_chemical_formula_structural Ti12O22
_chemical_formula_sum "Ti12 O22"
_cell_length_a 5.56435157
_cell_length_b 7.12801541
_cell_length_c 9.73572192
_cell_angle_alpha 89.90935394
_cell_angle_beta 100.53000427
_cell_angle_gamma 108.49487590999999
_space_group_na... |
MoveAroundAtomAction | 554f9965-f5f5-4b88-aef2-a212aebb7c38 | mp-11639 | Move all surrounding atoms within 2.415 angstrom around the center atom at index 5 by [-3.099 0.383 3.733] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb4Ge2S6
_chemical_formula_sum "Rb4 Ge2 S6"
_cell_length_a 6.94579339
_cell_length_b 7.60679798
_cell_length_c 8.73518639
_cell_angle_alpha 72.50630257999998
_cell_angle_beta 66.57329911000001
_cell_angle_gamma 62.83517662
_space_g... | data_image0
_chemical_formula_structural Rb4Ge2S6
_chemical_formula_sum "Rb4 Ge2 S6"
_cell_length_a 6.94579339
_cell_length_b 7.60679798
_cell_length_c 8.73518639
_cell_angle_alpha 72.50630257999998
_cell_angle_beta 66.57329911000001
_cell_angle_gamma 62.83517662
_space_g... |
MoveAroundAtomAction | 73e97b3b-f7db-46fb-bca6-d2cf45f7fbaa | mp-556333 | Move all surrounding atoms within 2.984 angstrom around the center atom at index 6 by [ 1.826 -0.896 -1.3 ] angstrom in the cif file. | data_image0
_chemical_formula_structural K4Zn2Cu6P6O24F2
_chemical_formula_sum "K4 Zn2 Cu6 P6 O24 F2"
_cell_length_a 14.36556291
_cell_length_b 4.87981883
_cell_length_c 7.87006132
_cell_angle_alpha 89.91131838999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... | data_image0
_chemical_formula_structural K4Zn2Cu6P6O24F2
_chemical_formula_sum "K4 Zn2 Cu6 P6 O24 F2"
_cell_length_a 14.36556291
_cell_length_b 4.87981883
_cell_length_c 7.87006132
_cell_angle_alpha 89.91131838999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... |
MoveAroundAtomAction | 955c2643-069b-413b-872b-123f66dc9690 | mp-1037954 | Move all surrounding atoms within 2.49 angstrom around the center atom at index 40 by [-0.268 -0.059 -2.06 ] angstrom in the cif file. | data_image0
_chemical_formula_structural CsMg30AlO32
_chemical_formula_sum "Cs1 Mg30 Al1 O32"
_cell_length_a 8.649622
_cell_length_b 8.649622
_cell_length_c 8.662416
_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 CsMg30AlO32
_chemical_formula_sum "Cs1 Mg30 Al1 O32"
_cell_length_a 8.649622
_cell_length_b 8.649622
_cell_length_c 8.662416
_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 | 85d522e0-2daa-4804-b54d-85366e6b168b | mp-1176288 | Move all surrounding atoms within 2.717 angstrom around the center atom at index 4 by [4.668 0.608 0.938] angstrom in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 11.335053
_cell_length_b 5.183895
_cell_length_c 5.21193958
_cell_angle_alpha 67.51091001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 11.335053
_cell_length_b 5.183895
_cell_length_c 5.21193958
_cell_angle_alpha 67.51091001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | 0b56eec2-19d0-44b6-8847-4dec4e2aa51b | mp-1208067 | Move all surrounding atoms within 3.24 angstrom around the center atom at index 16 by [ 1.308 2.574 -2.47 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Tm16Cd4Pd4
_chemical_formula_sum "Tm16 Cd4 Pd4"
_cell_length_a 9.49881182
_cell_length_b 9.49868892
_cell_length_c 9.49875746
_cell_angle_alpha 59.99933265
_cell_angle_beta 59.99960467
_cell_angle_gamma 59.99946519
_space_group_nam... | data_image0
_chemical_formula_structural Tm16Cd4Pd4
_chemical_formula_sum "Tm16 Cd4 Pd4"
_cell_length_a 9.49881182
_cell_length_b 9.49868892
_cell_length_c 9.49875746
_cell_angle_alpha 59.99933265
_cell_angle_beta 59.99960467
_cell_angle_gamma 59.99946519
_space_group_nam... |
MoveAroundAtomAction | cd910221-d013-4e84-b00e-f87cab262165 | mp-1205145 | Move all surrounding atoms within 3.862 angstrom around the center atom at index 77 by [-1.713 2.251 -2.04 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Ti4Si16H8O52
_chemical_formula_sum "Na8 Ti4 Si16 H8 O52"
_cell_length_a 7.446428
_cell_length_b 8.787016
_cell_length_c 16.530264
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Na8Ti4Si16H8O52
_chemical_formula_sum "Na8 Ti4 Si16 H8 O52"
_cell_length_a 7.446428
_cell_length_b 8.787016
_cell_length_c 16.530264
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveAroundAtomAction | 3d46ce48-b334-4766-b808-518b4a615681 | mp-1033461 | Move all surrounding atoms within 2.749 angstrom around the center atom at index 12 by [ 1.66 -0.148 -3.629] angstrom in the cif file. | data_image0
_chemical_formula_structural BaMg6CrO8
_chemical_formula_sum "Ba1 Mg6 Cr1 O8"
_cell_length_a 8.75022402
_cell_length_b 4.70931995
_cell_length_c 4.70931995
_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 BaMg6CrO8
_chemical_formula_sum "Ba1 Mg6 Cr1 O8"
_cell_length_a 8.75022402
_cell_length_b 4.70931995
_cell_length_c 4.70931995
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveAroundAtomAction | 6fc46fcd-df81-4a0a-9a3b-c8de9ca572ec | mp-1103256 | Move all surrounding atoms within 2.598 angstrom around the center atom at index 5 by [ 0.634 0.849 -0.233] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe4Sb4Se4
_chemical_formula_sum "Fe4 Sb4 Se4"
_cell_length_a 6.09302977
_cell_length_b 6.201098
_cell_length_c 6.20939352
_cell_angle_alpha 113.35185831
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Fe4Sb4Se4
_chemical_formula_sum "Fe4 Sb4 Se4"
_cell_length_a 6.09302977
_cell_length_b 6.201098
_cell_length_c 6.20939352
_cell_angle_alpha 113.35185831
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveAroundAtomAction | e572e8cc-975c-45d8-aa96-e7aa40312d37 | mp-1198143 | Move all surrounding atoms within 1.156 angstrom around the center atom at index 16 by [-0.501 1.498 -2.361] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4B8H40O4
_chemical_formula_sum "Ca4 B8 H40 O4"
_cell_length_a 6.01929
_cell_length_b 8.052479
_cell_length_c 11.659561
_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 Ca4B8H40O4
_chemical_formula_sum "Ca4 B8 H40 O4"
_cell_length_a 6.01929
_cell_length_b 8.052479
_cell_length_c 11.659561
_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 | a2627fef-f561-465f-a3a7-0899d3a8a2bc | mp-758053 | Move all surrounding atoms within 2.084 angstrom around the center atom at index 11 by [1.107 1.769 3.005] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb2Cr2O8
_chemical_formula_sum "Nb2 Cr2 O8"
_cell_length_a 5.57055069
_cell_length_b 5.57054898
_cell_length_c 5.570557780000001
_cell_angle_alpha 72.86725807
_cell_angle_beta 107.13264135
_cell_angle_gamma 65.74309285
_space_group... | data_image0
_chemical_formula_structural Nb2Cr2O8
_chemical_formula_sum "Nb2 Cr2 O8"
_cell_length_a 5.57055069
_cell_length_b 5.57054898
_cell_length_c 5.570557780000001
_cell_angle_alpha 72.86725807
_cell_angle_beta 107.13264135
_cell_angle_gamma 65.74309285
_space_group... |
MoveAroundAtomAction | 88919430-3cfd-4c14-81ef-95ff14e102e7 | mp-1221055 | Move all surrounding atoms within 3.067 angstrom around the center atom at index 51 by [ 0.097 -0.125 2.995] angstrom in the cif file. | data_image0
_chemical_formula_structural NaMg2Al6VSi6B3H3O31
_chemical_formula_sum "Na1 Mg2 Al6 V1 Si6 B3 H3 O31"
_cell_length_a 9.6145201
_cell_length_b 9.6145201
_cell_length_c 7.22996037
_cell_angle_alpha 75.4273574
_cell_angle_beta 75.4273574
_cell_angle_gamma 113.8554... | data_image0
_chemical_formula_structural NaMg2Al6VSi6B3H3O31
_chemical_formula_sum "Na1 Mg2 Al6 V1 Si6 B3 H3 O31"
_cell_length_a 9.6145201
_cell_length_b 9.6145201
_cell_length_c 7.22996037
_cell_angle_alpha 75.4273574
_cell_angle_beta 75.4273574
_cell_angle_gamma 113.8554... |
MoveAroundAtomAction | eaa97b6e-979a-48ed-ba3f-4ddb291ff43f | mp-23565 | Move all surrounding atoms within 2.384 angstrom around the center atom at index 11 by [-2.947 -2.027 1.056] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr4AgBiO14
_chemical_formula_sum "Cr4 Ag1 Bi1 O14"
_cell_length_a 7.38139862
_cell_length_b 7.38139862
_cell_length_c 7.381398620000001
_cell_angle_alpha 108.40324961
_cell_angle_beta 108.40324961
_cell_angle_gamma 111.6289498199999... | data_image0
_chemical_formula_structural Cr4AgBiO14
_chemical_formula_sum "Cr4 Ag1 Bi1 O14"
_cell_length_a 7.38139862
_cell_length_b 7.38139862
_cell_length_c 7.381398620000001
_cell_angle_alpha 108.40324961
_cell_angle_beta 108.40324961
_cell_angle_gamma 111.6289498199999... |
MoveAroundAtomAction | 0d9ba9d2-02ea-401c-b1bf-af8b3f9b5798 | mp-1233440 | Move all surrounding atoms within 1.97 angstrom around the center atom at index 13 by [-0.626 2.237 1.991] angstrom in the cif file. | data_image0
_chemical_formula_structural MgGa4P6H6O18
_chemical_formula_sum "Mg1 Ga4 P6 H6 O18"
_cell_length_a 8.51019773
_cell_length_b 8.51019737
_cell_length_c 8.10157161
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999685
_space_group_name_H-M_... | data_image0
_chemical_formula_structural MgGa4P6H6O18
_chemical_formula_sum "Mg1 Ga4 P6 H6 O18"
_cell_length_a 8.51019773
_cell_length_b 8.51019737
_cell_length_c 8.10157161
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999685
_space_group_name_H-M_... |
MoveAroundAtomAction | 2334244f-029b-4289-a588-f0ab8954903a | mp-776448 | Move all surrounding atoms within 2.255 angstrom around the center atom at index 19 by [0.659 1.015 2.545] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Nb6N2O14
_chemical_formula_sum "Ba2 Nb6 N2 O14"
_cell_length_a 10.79420589
_cell_length_b 10.79420589
_cell_length_c 9.12912202
_cell_angle_alpha 89.50859623
_cell_angle_beta 89.50859623
_cell_angle_gamma 20.7547255
_space_group... | data_image0
_chemical_formula_structural Ba2Nb6N2O14
_chemical_formula_sum "Ba2 Nb6 N2 O14"
_cell_length_a 10.79420589
_cell_length_b 10.79420589
_cell_length_c 9.12912202
_cell_angle_alpha 89.50859623
_cell_angle_beta 89.50859623
_cell_angle_gamma 20.7547255
_space_group... |
MoveAroundAtomAction | b631d04a-b89b-446f-a9c4-f908b49dc1ac | mp-850204 | Move all surrounding atoms within 3.036 angstrom around the center atom at index 13 by [-2.415 1.574 1.605] angstrom in the cif file. | data_image0
_chemical_formula_structural Li5Co2O2F5
_chemical_formula_sum "Li5 Co2 O2 F5"
_cell_length_a 14.62900426
_cell_length_b 14.629004259999999
_cell_length_c 14.629004259999999
_cell_angle_alpha 168.43291069000003
_cell_angle_beta 168.43291069
_cell_angle_gamma 16.... | data_image0
_chemical_formula_structural Li5Co2O2F5
_chemical_formula_sum "Li5 Co2 O2 F5"
_cell_length_a 14.62900426
_cell_length_b 14.629004259999999
_cell_length_c 14.629004259999999
_cell_angle_alpha 168.43291069000003
_cell_angle_beta 168.43291069
_cell_angle_gamma 16.... |
MoveAroundAtomAction | 4cda376e-52e4-45b3-a0cc-606f5323c282 | mp-761075 | Move all surrounding atoms within 2.633 angstrom around the center atom at index 17 by [ 2.718 -1.82 2.445] angstrom in the cif file. | data_image0
_chemical_formula_structural Ni4P16O44
_chemical_formula_sum "Ni4 P16 O44"
_cell_length_a 9.172254
_cell_length_b 9.20584772
_cell_length_c 10.69975843
_cell_angle_alpha 108.96845521999998
_cell_angle_beta 108.18002872
_cell_angle_gamma 90.91766442999999
_spac... | data_image0
_chemical_formula_structural Ni4P16O44
_chemical_formula_sum "Ni4 P16 O44"
_cell_length_a 9.172254
_cell_length_b 9.20584772
_cell_length_c 10.69975843
_cell_angle_alpha 108.96845521999998
_cell_angle_beta 108.18002872
_cell_angle_gamma 90.91766442999999
_spac... |
MoveAroundAtomAction | 9fefeff5-f547-4193-a79c-39a094a663b2 | mp-1221008 | Move all surrounding atoms within 3.771 angstrom around the center atom at index 58 by [-0.36 -3.252 -1.56 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd9Ni24Sn49
_chemical_formula_sum "Nd9 Ni24 Sn49"
_cell_length_a 10.40052865
_cell_length_b 10.40052865
_cell_length_c 17.11282481
_cell_angle_alpha 89.88282626
_cell_angle_beta 89.88282626
_cell_angle_gamma 70.72407511
_space_grou... | data_image0
_chemical_formula_structural Nd9Ni24Sn49
_chemical_formula_sum "Nd9 Ni24 Sn49"
_cell_length_a 10.40052865
_cell_length_b 10.40052865
_cell_length_c 17.11282481
_cell_angle_alpha 89.88282626
_cell_angle_beta 89.88282626
_cell_angle_gamma 70.72407511
_space_grou... |
MoveAroundAtomAction | 109abae9-b26b-4619-a3e6-a181d3344adc | mp-1022621 | Move all surrounding atoms within 3.911 angstrom around the center atom at index 6 by [ 0.504 -0.963 1.972] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg12Zn2Cu2
_chemical_formula_sum "Mg12 Zn2 Cu2"
_cell_length_a 4.944464
_cell_length_b 5.998818
_cell_length_c 10.550665
_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 Mg12Zn2Cu2
_chemical_formula_sum "Mg12 Zn2 Cu2"
_cell_length_a 4.944464
_cell_length_b 5.998818
_cell_length_c 10.550665
_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 | 8a42f69e-af01-4118-a73a-72c41b009ca4 | mp-1195048 | Move all surrounding atoms within 3.523 angstrom around the center atom at index 51 by [ 0.997 -2.892 -0.771] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2Ca2Mn6Si10H2O30
_chemical_formula_sum "Na2 Ca2 Mn6 Si10 H2 O30"
_cell_length_a 6.88200997
_cell_length_b 7.80432588
_cell_length_c 12.1280066
_cell_angle_alpha 110.93483247
_cell_angle_beta 84.50278834
_cell_angle_gamma 94.318122... | data_image0
_chemical_formula_structural Na2Ca2Mn6Si10H2O30
_chemical_formula_sum "Na2 Ca2 Mn6 Si10 H2 O30"
_cell_length_a 6.88200997
_cell_length_b 7.80432588
_cell_length_c 12.1280066
_cell_angle_alpha 110.93483247
_cell_angle_beta 84.50278834
_cell_angle_gamma 94.318122... |
MoveAroundAtomAction | 29111fa2-7830-44c5-8db2-b17271375252 | mp-1520689 | Move all surrounding atoms within 3.943 angstrom around the center atom at index 17 by [3.281 0.903 1.926] angstrom in the cif file. | data_image0
_chemical_formula_structural BaSrTi4O12
_chemical_formula_sum "Ba1 Sr1 Ti4 O12"
_cell_length_a 5.5757866
_cell_length_b 5.5757866
_cell_length_c 7.87964887
_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 BaSrTi4O12
_chemical_formula_sum "Ba1 Sr1 Ti4 O12"
_cell_length_a 5.5757866
_cell_length_b 5.5757866
_cell_length_c 7.87964887
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveAroundAtomAction | cf1e5a15-1773-4d12-a948-965c2adfc5b5 | mp-1208808 | Move all surrounding atoms within 2.574 angstrom around the center atom at index 8 by [-0.786 1.908 2.695] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr4Li2Te2O12
_chemical_formula_sum "Sr4 Li2 Te2 O12"
_cell_length_a 5.679665
_cell_length_b 5.67929352
_cell_length_c 8.070007170000002
_cell_angle_alpha 90.08535325
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Sr4Li2Te2O12
_chemical_formula_sum "Sr4 Li2 Te2 O12"
_cell_length_a 5.679665
_cell_length_b 5.67929352
_cell_length_c 8.070007170000002
_cell_angle_alpha 90.08535325
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
MoveAroundAtomAction | 7810a05a-ec02-41c8-9151-894a3ee9bf9c | mp-649415 | Move all surrounding atoms within 3.83 angstrom around the center atom at index 22 by [ 1.574 -1.414 -3.045] angstrom in the cif file. | data_image0
_chemical_formula_structural K4Bi4N4Cl12O12
_chemical_formula_sum "K4 Bi4 N4 Cl12 O12"
_cell_length_a 8.531401
_cell_length_b 10.022379
_cell_length_c 10.45207687
_cell_angle_alpha 67.52483892000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural K4Bi4N4Cl12O12
_chemical_formula_sum "K4 Bi4 N4 Cl12 O12"
_cell_length_a 8.531401
_cell_length_b 10.022379
_cell_length_c 10.45207687
_cell_angle_alpha 67.52483892000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
MoveAroundAtomAction | 4f4b41ff-11b8-41fe-a75f-f40a699e5316 | mp-540267 | Move all surrounding atoms within 3.616 angstrom around the center atom at index 18 by [-2.793 -0.981 0.164] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr2P4O14
_chemical_formula_sum "Cr2 P4 O14"
_cell_length_a 6.335876
_cell_length_b 6.415262979999999
_cell_length_c 6.90502087
_cell_angle_alpha 89.08847891
_cell_angle_beta 113.74398703
_cell_angle_gamma 94.57539448
_space_group_n... | data_image0
_chemical_formula_structural Cr2P4O14
_chemical_formula_sum "Cr2 P4 O14"
_cell_length_a 6.335876
_cell_length_b 6.415262979999999
_cell_length_c 6.90502087
_cell_angle_alpha 89.08847891
_cell_angle_beta 113.74398703
_cell_angle_gamma 94.57539448
_space_group_n... |
MoveAroundAtomAction | 4b4acc32-3681-4a02-b659-ebeba90414f3 | mp-21322 | Move all surrounding atoms within 2.321 angstrom around the center atom at index 11 by [-2.032 0.209 -1.731] angstrom in the cif file. | data_image0
_chemical_formula_structural V2Pb3O8
_chemical_formula_sum "V2 Pb3 O8"
_cell_length_a 7.54608979
_cell_length_b 7.546089790000001
_cell_length_c 7.54609002
_cell_angle_alpha 45.30973056999999
_cell_angle_beta 45.309730570000006
_cell_angle_gamma 45.309734139999... | data_image0
_chemical_formula_structural V2Pb3O8
_chemical_formula_sum "V2 Pb3 O8"
_cell_length_a 7.54608979
_cell_length_b 7.546089790000001
_cell_length_c 7.54609002
_cell_angle_alpha 45.30973056999999
_cell_angle_beta 45.309730570000006
_cell_angle_gamma 45.309734139999... |
MoveAroundAtomAction | 3689ce6c-d558-4aff-8ba3-6e11b0865d65 | mp-685444 | Move all surrounding atoms within 3.692 angstrom around the center atom at index 87 by [-0.867 -0.498 3.054] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg11Fe30O56
_chemical_formula_sum "Mg11 Fe30 O56"
_cell_length_a 6.019515
_cell_length_b 6.024068190000001
_cell_length_c 34.58633018
_cell_angle_alpha 85.08342474
_cell_angle_beta 85.01700373
_cell_angle_gamma 60.03193310000001
_s... | data_image0
_chemical_formula_structural Mg11Fe30O56
_chemical_formula_sum "Mg11 Fe30 O56"
_cell_length_a 6.019515
_cell_length_b 6.024068190000001
_cell_length_c 34.58633018
_cell_angle_alpha 85.08342474
_cell_angle_beta 85.01700373
_cell_angle_gamma 60.03193310000001
_s... |
MoveAroundAtomAction | 6abffef2-8191-4e1d-9349-2fae4ed89739 | mp-1182197 | Move all surrounding atoms within 5.15 angstrom around the center atom at index 19 by [-0.872 -2.28 0.192] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd4Mn4O12
_chemical_formula_sum "Nd4 Mn4 O12"
_cell_length_a 14.392943
_cell_length_b 14.078227
_cell_length_c 19.90936595
_cell_angle_alpha 87.88079187
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Nd4Mn4O12
_chemical_formula_sum "Nd4 Mn4 O12"
_cell_length_a 14.392943
_cell_length_b 14.078227
_cell_length_c 19.90936595
_cell_angle_alpha 87.88079187
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveAroundAtomAction | 5e13821f-a08f-4182-bdb6-aa4dd3eb5c2d | mp-1029037 | Move all surrounding atoms within 2.642 angstrom around the center atom at index 1 by [-1.196 0.48 -3.311] angstrom in the cif file. | data_image0
_chemical_formula_structural MoW3Se2S6
_chemical_formula_sum "Mo1 W3 Se2 S6"
_cell_length_a 3.21988457
_cell_length_b 3.21988457
_cell_length_c 36.406804
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001172
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural MoW3Se2S6
_chemical_formula_sum "Mo1 W3 Se2 S6"
_cell_length_a 3.21988457
_cell_length_b 3.21988457
_cell_length_c 36.406804
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001172
_space_group_name_H-M_alt "... |
MoveAroundAtomAction | 6cd6b66d-0805-4ef5-9de8-8cfecc97d83f | mp-1205276 | Move all surrounding atoms within 3.138 angstrom around the center atom at index 20 by [ 1.34 1.068 -2.027] angstrom in the cif file. | data_image0
_chemical_formula_structural Ru4N24Cl12O8
_chemical_formula_sum "Ru4 N24 Cl12 O8"
_cell_length_a 7.600382
_cell_length_b 11.419559
_cell_length_c 13.827968
_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 Ru4N24Cl12O8
_chemical_formula_sum "Ru4 N24 Cl12 O8"
_cell_length_a 7.600382
_cell_length_b 11.419559
_cell_length_c 13.827968
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveAroundAtomAction | 4ff60989-d313-404f-9a54-380c58fc0fda | mp-2218579 | Move all surrounding atoms within 2.236 angstrom around the center atom at index 12 by [-2.42 -2.842 1.07 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2MgCu4O6
_chemical_formula_sum "Na2 Mg1 Cu4 O6"
_cell_length_a 4.27997979
_cell_length_b 9.66600533
_cell_length_c 3.85086784
_cell_angle_alpha 90.0
_cell_angle_beta 80.78352214
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na2MgCu4O6
_chemical_formula_sum "Na2 Mg1 Cu4 O6"
_cell_length_a 4.27997979
_cell_length_b 9.66600533
_cell_length_c 3.85086784
_cell_angle_alpha 90.0
_cell_angle_beta 80.78352214
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | d20a0fe9-e75d-4802-9b99-01e9cf7c097b | mp-1037436 | Move all surrounding atoms within 2.913 angstrom around the center atom at index 6 by [-0.23 -1.446 0.017] angstrom in the cif file. | data_image0
_chemical_formula_structural YMg30CdO32
_chemical_formula_sum "Y1 Mg30 Cd1 O32"
_cell_length_a 8.648656
_cell_length_b 8.648656
_cell_length_c 8.694971
_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 YMg30CdO32
_chemical_formula_sum "Y1 Mg30 Cd1 O32"
_cell_length_a 8.648656
_cell_length_b 8.648656
_cell_length_c 8.694971
_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 | de83ae49-7bfd-4e69-bef5-0f6ed40cd380 | mp-567566 | Move all surrounding atoms within 3.445 angstrom around the center atom at index 11 by [-2.937 1.512 0.322] angstrom in the cif file. | data_image0
_chemical_formula_structural Ho7FeI12
_chemical_formula_sum "Ho7 Fe1 I12"
_cell_length_a 9.63303313
_cell_length_b 9.63303336
_cell_length_c 9.633033229999999
_cell_angle_alpha 107.05682541
_cell_angle_beta 107.05682423
_cell_angle_gamma 107.05683085
_space_gr... | data_image0
_chemical_formula_structural Ho7FeI12
_chemical_formula_sum "Ho7 Fe1 I12"
_cell_length_a 9.63303313
_cell_length_b 9.63303336
_cell_length_c 9.633033229999999
_cell_angle_alpha 107.05682541
_cell_angle_beta 107.05682423
_cell_angle_gamma 107.05683085
_space_gr... |
MoveAroundAtomAction | 310c6a07-7ca1-415e-b39d-a3d22ee6f451 | mp-540477 | Move all surrounding atoms within 3.742 angstrom around the center atom at index 4 by [ 2.394 -1.235 2.313] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2MnP4O12
_chemical_formula_sum "Li2 Mn1 P4 O12"
_cell_length_a 5.000676
_cell_length_b 7.1133524
_cell_length_c 7.53390146
_cell_angle_alpha 113.78511957
_cell_angle_beta 83.76622122999999
_cell_angle_gamma 107.98866200000002
_sp... | data_image0
_chemical_formula_structural Li2MnP4O12
_chemical_formula_sum "Li2 Mn1 P4 O12"
_cell_length_a 5.000676
_cell_length_b 7.1133524
_cell_length_c 7.53390146
_cell_angle_alpha 113.78511957
_cell_angle_beta 83.76622122999999
_cell_angle_gamma 107.98866200000002
_sp... |
MoveAroundAtomAction | 03a60100-6523-4c74-9f22-517706dc4cba | mp-2459381 | Move all surrounding atoms within 3.37 angstrom around the center atom at index 1 by [ 0.012 -0.68 0.049] angstrom in the cif file. | data_image0
_chemical_formula_structural W2Br4O4
_chemical_formula_sum "W2 Br4 O4"
_cell_length_a 3.85105356
_cell_length_b 7.70105544
_cell_length_c 8.98355385
_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 W2Br4O4
_chemical_formula_sum "W2 Br4 O4"
_cell_length_a 3.85105356
_cell_length_b 7.70105544
_cell_length_c 8.98355385
_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 | 484834cf-288c-4af8-a1dd-716726eb73d9 | mp-1182082 | Move all surrounding atoms within 1.959 angstrom around the center atom at index 13 by [ 0.874 0.312 -0.277] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2Al2O4F8
_chemical_formula_sum "Ca2 Al2 O4 F8"
_cell_length_a 4.977718
_cell_length_b 6.81246392
_cell_length_c 7.06145267
_cell_angle_alpha 97.85664077999999
_cell_angle_beta 93.78255747000001
_cell_angle_gamma 108.87985066999998... | data_image0
_chemical_formula_structural Ca2Al2O4F8
_chemical_formula_sum "Ca2 Al2 O4 F8"
_cell_length_a 4.977718
_cell_length_b 6.81246392
_cell_length_c 7.06145267
_cell_angle_alpha 97.85664077999999
_cell_angle_beta 93.78255747000001
_cell_angle_gamma 108.87985066999998... |
MoveAroundAtomAction | bf8cb427-2eb4-453c-a673-1de9ad295594 | mp-554704 | Move all surrounding atoms within 3.673 angstrom around the center atom at index 31 by [ 2.37 -1.11 -3.005] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti4P4H4O20
_chemical_formula_sum "Ti4 P4 H4 O20"
_cell_length_a 7.16377
_cell_length_b 7.48501
_cell_length_c 7.485935499999999
_cell_angle_alpha 63.15581535999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ti4P4H4O20
_chemical_formula_sum "Ti4 P4 H4 O20"
_cell_length_a 7.16377
_cell_length_b 7.48501
_cell_length_c 7.485935499999999
_cell_angle_alpha 63.15581535999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveAroundAtomAction | a6b5693e-f744-4fd0-bfa7-fdc5d443177a | mp-1247259 | Move all surrounding atoms within 3.23 angstrom around the center atom at index 12 by [ 4.129 -0.593 -2.712] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca6Rh2N6
_chemical_formula_sum "Ca6 Rh2 N6"
_cell_length_a 7.29271414
_cell_length_b 7.29724511
_cell_length_c 4.95551802
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.77866697999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ca6Rh2N6
_chemical_formula_sum "Ca6 Rh2 N6"
_cell_length_a 7.29271414
_cell_length_b 7.29724511
_cell_length_c 4.95551802
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.77866697999998
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | 52c9600f-106b-42f5-acfe-1fae8c284c09 | mp-1347506 | Move all surrounding atoms within 3.098 angstrom around the center atom at index 6 by [ 3.683 -0.681 -2.608] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4Cu2Ir2O12
_chemical_formula_sum "Mg4 Cu2 Ir2 O12"
_cell_length_a 5.303478
_cell_length_b 5.072948
_cell_length_c 9.16550183
_cell_angle_alpha 57.35212348
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg4Cu2Ir2O12
_chemical_formula_sum "Mg4 Cu2 Ir2 O12"
_cell_length_a 5.303478
_cell_length_b 5.072948
_cell_length_c 9.16550183
_cell_angle_alpha 57.35212348
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | c13c6c01-23bd-49b4-934c-af0de5517ea8 | mp-1203790 | Move all surrounding atoms within 3.965 angstrom around the center atom at index 7 by [1.836 0.844 2.34 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Si68
_chemical_formula_sum "Si68"
_cell_length_a 10.36662954
_cell_length_b 10.36662717
_cell_length_c 16.97027249
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99996436
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Si68
_chemical_formula_sum "Si68"
_cell_length_a 10.36662954
_cell_length_b 10.36662717
_cell_length_c 16.97027249
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99996436
_space_group_name_H-M_alt "P 1"
_spac... |
MoveAroundAtomAction | 8e9d76c2-f04d-4abb-8ddd-cb555f3439fe | mp-778833 | Move all surrounding atoms within 3.217 angstrom around the center atom at index 13 by [-0.795 3.204 -1.189] angstrom in the cif file. | data_image0
_chemical_formula_structural Co6O6F6
_chemical_formula_sum "Co6 O6 F6"
_cell_length_a 4.481577
_cell_length_b 4.508992
_cell_length_c 8.998599
_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 Co6O6F6
_chemical_formula_sum "Co6 O6 F6"
_cell_length_a 4.481577
_cell_length_b 4.508992
_cell_length_c 8.998599
_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 | ca93dbdd-bdf3-49b3-814c-eaa182200be7 | mp-1045551 | Move all surrounding atoms within 3.659 angstrom around the center atom at index 8 by [-2.673 3.294 1.01 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg2Fe4O8
_chemical_formula_sum "Mg2 Fe4 O8"
_cell_length_a 5.96618767
_cell_length_b 5.96618767
_cell_length_c 5.96618767
_cell_angle_alpha 118.66061098
_cell_angle_beta 118.46925667999999
_cell_angle_gamma 92.50419208000001
_space... | data_image0
_chemical_formula_structural Mg2Fe4O8
_chemical_formula_sum "Mg2 Fe4 O8"
_cell_length_a 5.96618767
_cell_length_b 5.96618767
_cell_length_c 5.96618767
_cell_angle_alpha 118.66061098
_cell_angle_beta 118.46925667999999
_cell_angle_gamma 92.50419208000001
_space... |
MoveAroundAtomAction | 6120e1ec-c15b-4f00-8d6e-65ba6dc9b7ea | mp-559052 | Move all surrounding atoms within 2.579 angstrom around the center atom at index 21 by [0.011 0.835 5.015] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Nb6Bi8O28
_chemical_formula_sum "Li2 Nb6 Bi8 O28"
_cell_length_a 7.6946639
_cell_length_b 7.6946639
_cell_length_c 12.25300206
_cell_angle_alpha 80.05054554
_cell_angle_beta 80.05054554
_cell_angle_gamma 60.84877041
_space_group... | data_image0
_chemical_formula_structural Li2Nb6Bi8O28
_chemical_formula_sum "Li2 Nb6 Bi8 O28"
_cell_length_a 7.6946639
_cell_length_b 7.6946639
_cell_length_c 12.25300206
_cell_angle_alpha 80.05054554
_cell_angle_beta 80.05054554
_cell_angle_gamma 60.84877041
_space_group... |
MoveAroundAtomAction | 07affcde-67f3-453f-b0b9-d084f0e024ac | mp-753615 | Move all surrounding atoms within 2.296 angstrom around the center atom at index 6 by [1.598 1.59 0.074] angstrom in the cif file. | data_image0
_chemical_formula_structural Li3Mn3O4F4
_chemical_formula_sum "Li3 Mn3 O4 F4"
_cell_length_a 5.80379245
_cell_length_b 6.04470894
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_gamma 118.69020598
_space_group_n... | data_image0
_chemical_formula_structural Li3Mn3O4F4
_chemical_formula_sum "Li3 Mn3 O4 F4"
_cell_length_a 5.80379245
_cell_length_b 6.04470894
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_gamma 118.69020598
_space_group_n... |
MoveAroundAtomAction | 2e7ec178-cc52-4aaf-af06-a0db082496cc | mp-769018 | Move all surrounding atoms within 1.544 angstrom around the center atom at index 49 by [ 0.185 -0.657 -0.849] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Fe8S12O48
_chemical_formula_sum "Li4 Fe8 S12 O48"
_cell_length_a 8.81743
_cell_length_b 8.529569
_cell_length_c 14.69161559
_cell_angle_alpha 55.572251030000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li4Fe8S12O48
_chemical_formula_sum "Li4 Fe8 S12 O48"
_cell_length_a 8.81743
_cell_length_b 8.529569
_cell_length_c 14.69161559
_cell_angle_alpha 55.572251030000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveAroundAtomAction | 3086bfb2-6439-40e3-a7d4-d68313f6e3b2 | mp-1212062 | Move all surrounding atoms within 3.765 angstrom around the center atom at index 16 by [-0.263 0.236 -3.486] angstrom in the cif file. | data_image0
_chemical_formula_structural K8Dy4Cl20
_chemical_formula_sum "K8 Dy4 Cl20"
_cell_length_a 7.91673287
_cell_length_b 8.54467974
_cell_length_c 12.66536278
_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 K8Dy4Cl20
_chemical_formula_sum "K8 Dy4 Cl20"
_cell_length_a 7.91673287
_cell_length_b 8.54467974
_cell_length_c 12.66536278
_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 | 4a4debc0-3f4c-4642-a6ea-ca1839729151 | mp-2218660 | Move all surrounding atoms within 2.6 angstrom around the center atom at index 7 by [0.926 1.876 0.786] angstrom in the cif file. | data_image0
_chemical_formula_structural Na4MgBi2O6
_chemical_formula_sum "Na4 Mg1 Bi2 O6"
_cell_length_a 6.34905994
_cell_length_b 6.41998489
_cell_length_c 6.011830709999999
_cell_angle_alpha 82.04947734
_cell_angle_beta 99.38249075
_cell_angle_gamma 59.92394204000001
_... | data_image0
_chemical_formula_structural Na4MgBi2O6
_chemical_formula_sum "Na4 Mg1 Bi2 O6"
_cell_length_a 6.34905994
_cell_length_b 6.41998489
_cell_length_c 6.011830709999999
_cell_angle_alpha 82.04947734
_cell_angle_beta 99.38249075
_cell_angle_gamma 59.92394204000001
_... |
MoveAroundAtomAction | e42825d4-19a4-4364-8324-d5cd74948bc4 | mp-758762 | Move all surrounding atoms within 3.816 angstrom around the center atom at index 26 by [-0.259 -0.018 -1.669] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Fe4P8O28
_chemical_formula_sum "Li4 Fe4 P8 O28"
_cell_length_a 8.064649
_cell_length_b 4.948896
_cell_length_c 14.20387287
_cell_angle_alpha 79.33603324
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li4Fe4P8O28
_chemical_formula_sum "Li4 Fe4 P8 O28"
_cell_length_a 8.064649
_cell_length_b 4.948896
_cell_length_c 14.20387287
_cell_angle_alpha 79.33603324
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveAroundAtomAction | 27d5e5cb-ef8e-4ad7-9a8b-f7f79ef33f38 | mp-1304017 | Move all surrounding atoms within 3.053 angstrom around the center atom at index 7 by [ 1.364 -1.427 0.359] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn6Co2O16
_chemical_formula_sum "Li4 Mn6 Co2 O16"
_cell_length_a 5.82743684
_cell_length_b 8.45367559
_cell_length_c 5.830694329999999
_cell_angle_alpha 90.00683183
_cell_angle_beta 89.99829138999999
_cell_angle_gamma 90.31659584... | data_image0
_chemical_formula_structural Li4Mn6Co2O16
_chemical_formula_sum "Li4 Mn6 Co2 O16"
_cell_length_a 5.82743684
_cell_length_b 8.45367559
_cell_length_c 5.830694329999999
_cell_angle_alpha 90.00683183
_cell_angle_beta 89.99829138999999
_cell_angle_gamma 90.31659584... |
MoveAroundAtomAction | c2170f08-6148-49db-8874-0960ba2ece78 | mp-1224634 | Move all surrounding atoms within 3.999 angstrom around the center atom at index 4 by [-0.899 0.077 -2.347] angstrom in the cif file. | data_image0
_chemical_formula_structural In9Ga3Bi4S24
_chemical_formula_sum "In9 Ga3 Bi4 S24"
_cell_length_a 3.884257
_cell_length_b 20.47284027
_cell_length_c 12.59901753
_cell_angle_alpha 83.63688405
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural In9Ga3Bi4S24
_chemical_formula_sum "In9 Ga3 Bi4 S24"
_cell_length_a 3.884257
_cell_length_b 20.47284027
_cell_length_c 12.59901753
_cell_angle_alpha 83.63688405
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveAroundAtomAction | 1617d82f-791d-451b-a34e-b92da78951b0 | mp-541971 | Move all surrounding atoms within 2.255 angstrom around the center atom at index 5 by [-3.352 -1.633 0.753] angstrom in the cif file. | data_image0
_chemical_formula_structural Tm2Ni12P7
_chemical_formula_sum "Tm2 Ni12 P7"
_cell_length_a 8.95021444
_cell_length_b 8.95019988
_cell_length_c 3.6448585100000006
_cell_angle_alpha 89.99999178
_cell_angle_beta 90.00000702
_cell_angle_gamma 119.99714150999999
_sp... | data_image0
_chemical_formula_structural Tm2Ni12P7
_chemical_formula_sum "Tm2 Ni12 P7"
_cell_length_a 8.95021444
_cell_length_b 8.95019988
_cell_length_c 3.6448585100000006
_cell_angle_alpha 89.99999178
_cell_angle_beta 90.00000702
_cell_angle_gamma 119.99714150999999
_sp... |
MoveAroundAtomAction | 37393d64-34c4-4992-9db8-fbadd6293aa1 | mp-1247520 | Move all surrounding atoms within 3.228 angstrom around the center atom at index 13 by [ 3.527 3.219 -0.808] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca6Re4N8
_chemical_formula_sum "Ca6 Re4 N8"
_cell_length_a 7.07157795
_cell_length_b 9.1900106
_cell_length_c 5.36736206
_cell_angle_alpha 90.00000385
_cell_angle_beta 93.61192825000002
_cell_angle_gamma 130.52539222
_space_group_n... | data_image0
_chemical_formula_structural Ca6Re4N8
_chemical_formula_sum "Ca6 Re4 N8"
_cell_length_a 7.07157795
_cell_length_b 9.1900106
_cell_length_c 5.36736206
_cell_angle_alpha 90.00000385
_cell_angle_beta 93.61192825000002
_cell_angle_gamma 130.52539222
_space_group_n... |
MoveAroundAtomAction | be63171d-45e4-470e-8f01-2c932117702b | mp-1172905 | Move all surrounding atoms within 3.383 angstrom around the center atom at index 0 by [-4.374 -0.515 0.57 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ag3Bi3S6
_chemical_formula_sum "Ag3 Bi3 S6"
_cell_length_a 4.04844097
_cell_length_b 4.04844097
_cell_length_c 19.110277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001577
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Ag3Bi3S6
_chemical_formula_sum "Ag3 Bi3 S6"
_cell_length_a 4.04844097
_cell_length_b 4.04844097
_cell_length_c 19.110277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001577
_space_group_name_H-M_alt "P 1"... |
MoveAroundAtomAction | bd685ff8-1cc3-4a70-b2ff-da44684f9d88 | mp-772276 | Move all surrounding atoms within 2.828 angstrom around the center atom at index 26 by [-0.219 3.003 -0.388] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr4P4O20
_chemical_formula_sum "Cr4 P4 O20"
_cell_length_a 5.180952
_cell_length_b 8.38677856
_cell_length_c 9.309508530000002
_cell_angle_alpha 102.25086210999999
_cell_angle_beta 104.36657557999999
_cell_angle_gamma 91.41059046
_... | data_image0
_chemical_formula_structural Cr4P4O20
_chemical_formula_sum "Cr4 P4 O20"
_cell_length_a 5.180952
_cell_length_b 8.38677856
_cell_length_c 9.309508530000002
_cell_angle_alpha 102.25086210999999
_cell_angle_beta 104.36657557999999
_cell_angle_gamma 91.41059046
_... |
MoveAroundAtomAction | 1fa3f30d-6526-4a19-b7c7-3a09a1acdb8a | mp-28092 | Move all surrounding atoms within 1.701 angstrom around the center atom at index 74 by [ 3.036 -0.648 0.709] angstrom in the cif file. | data_image0
_chemical_formula_structural B40H52O2
_chemical_formula_sum "B40 H52 O2"
_cell_length_a 13.41078563
_cell_length_b 13.41078563
_cell_length_c 10.39757687
_cell_angle_alpha 84.05207654
_cell_angle_beta 84.05207654
_cell_angle_gamma 33.33214107
_space_group_name... | data_image0
_chemical_formula_structural B40H52O2
_chemical_formula_sum "B40 H52 O2"
_cell_length_a 13.41078563
_cell_length_b 13.41078563
_cell_length_c 10.39757687
_cell_angle_alpha 84.05207654
_cell_angle_beta 84.05207654
_cell_angle_gamma 33.33214107
_space_group_name... |
MoveAroundAtomAction | 4dbf26d1-90aa-4289-830d-524c7b74f2d5 | mp-1519716 | Move all surrounding atoms within 2.566 angstrom around the center atom at index 12 by [-1.919 2.531 -3.357] angstrom in the cif file. | data_image0
_chemical_formula_structural Pr4Mg4Bi8O24
_chemical_formula_sum "Pr4 Mg4 Bi8 O24"
_cell_length_a 8.43650062
_cell_length_b 8.43650062
_cell_length_c 8.43650062
_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 Pr4Mg4Bi8O24
_chemical_formula_sum "Pr4 Mg4 Bi8 O24"
_cell_length_a 8.43650062
_cell_length_b 8.43650062
_cell_length_c 8.43650062
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveAroundAtomAction | e594f49b-c683-40f8-b0bf-c3d24e846201 | mp-1197452 | Move all surrounding atoms within 2.732 angstrom around the center atom at index 11 by [0.077 3.397 2.069] angstrom in the cif file. | data_image0
_chemical_formula_structural Ni4P4C20O8
_chemical_formula_sum "Ni4 P4 C20 O8"
_cell_length_a 7.12980752
_cell_length_b 10.5379638
_cell_length_c 12.190615
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 83.76935544
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ni4P4C20O8
_chemical_formula_sum "Ni4 P4 C20 O8"
_cell_length_a 7.12980752
_cell_length_b 10.5379638
_cell_length_c 12.190615
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 83.76935544
_space_group_name_H-M_alt "... |
MoveAroundAtomAction | c76ad8ea-3da8-4526-b2cf-ef16b21b8dda | mp-1227514 | Move all surrounding atoms within 2.874 angstrom around the center atom at index 0 by [-3.659 -0.587 0.739] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Ga4Ge2O14
_chemical_formula_sum "Ca4 Ga4 Ge2 O14"
_cell_length_a 7.979943
_cell_length_b 5.257897
_cell_length_c 7.995302279999999
_cell_angle_alpha 89.98483636
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ca4Ga4Ge2O14
_chemical_formula_sum "Ca4 Ga4 Ge2 O14"
_cell_length_a 7.979943
_cell_length_b 5.257897
_cell_length_c 7.995302279999999
_cell_angle_alpha 89.98483636
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveAroundAtomAction | 242fb467-8b5a-4103-ba89-cb00082bbd3e | mp-17461 | Move all surrounding atoms within 1.972 angstrom around the center atom at index 42 by [ 2.57 -1.092 1.142] angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Ti4P8O28
_chemical_formula_sum "Na4 Ti4 P8 O28"
_cell_length_a 8.036569
_cell_length_b 7.479749
_cell_length_c 9.84832174
_cell_angle_alpha 68.32817444999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Na4Ti4P8O28
_chemical_formula_sum "Na4 Ti4 P8 O28"
_cell_length_a 8.036569
_cell_length_b 7.479749
_cell_length_c 9.84832174
_cell_angle_alpha 68.32817444999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveAroundAtomAction | 8c77178a-45ff-4236-8014-2cb019480557 | mp-1179245 | Move all surrounding atoms within 1.162 angstrom around the center atom at index 13 by [-0.878 0.533 0.146] angstrom in the cif file. | data_image0
_chemical_formula_structural V6H12O20
_chemical_formula_sum "V6 H12 O20"
_cell_length_a 6.109909
_cell_length_b 8.90692701
_cell_length_c 9.072093930000001
_cell_angle_alpha 88.65203732
_cell_angle_beta 86.15278078
_cell_angle_gamma 81.7956423
_space_group_nam... | data_image0
_chemical_formula_structural V6H12O20
_chemical_formula_sum "V6 H12 O20"
_cell_length_a 6.109909
_cell_length_b 8.90692701
_cell_length_c 9.072093930000001
_cell_angle_alpha 88.65203732
_cell_angle_beta 86.15278078
_cell_angle_gamma 81.7956423
_space_group_nam... |
MoveAroundAtomAction | 46c29177-ef79-4dcf-aa6f-cdb49fe1976d | mp-1397105 | Move all surrounding atoms within 3.515 angstrom around the center atom at index 20 by [-2.501 -2.858 1.84 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2Nb6Cu2Cl18
_chemical_formula_sum "Rb2 Nb6 Cu2 Cl18"
_cell_length_a 9.455724
_cell_length_b 9.47075796
_cell_length_c 9.47459431
_cell_angle_alpha 119.70891577000002
_cell_angle_beta 105.57744098
_cell_angle_gamma 95.73010008
_sp... | data_image0
_chemical_formula_structural Rb2Nb6Cu2Cl18
_chemical_formula_sum "Rb2 Nb6 Cu2 Cl18"
_cell_length_a 9.455724
_cell_length_b 9.47075796
_cell_length_c 9.47459431
_cell_angle_alpha 119.70891577000002
_cell_angle_beta 105.57744098
_cell_angle_gamma 95.73010008
_sp... |
MoveAroundAtomAction | 4aee6489-3dfb-4a7e-bd0b-8f3eb1d945ba | mp-1199467 | Move all surrounding atoms within 3.97 angstrom around the center atom at index 3 by [ 2.312 -4.742 -1.36 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Lu20Ge16
_chemical_formula_sum "Lu20 Ge16"
_cell_length_a 7.36423847
_cell_length_b 7.46203221
_cell_length_c 14.16995855
_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 Lu20Ge16
_chemical_formula_sum "Lu20 Ge16"
_cell_length_a 7.36423847
_cell_length_b 7.46203221
_cell_length_c 14.16995855
_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 | ae6cc5dc-70a5-4d79-bb77-f2de741252f4 | mp-569786 | Move all surrounding atoms within 3.465 angstrom around the center atom at index 13 by [-1.041 2.412 0.213] angstrom in the cif file. | data_image0
_chemical_formula_structural Er8Pb4Se16
_chemical_formula_sum "Er8 Pb4 Se16"
_cell_length_a 4.112409
_cell_length_b 12.567483
_cell_length_c 14.943412
_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 Er8Pb4Se16
_chemical_formula_sum "Er8 Pb4 Se16"
_cell_length_a 4.112409
_cell_length_b 12.567483
_cell_length_c 14.943412
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
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