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 |
|---|---|---|---|---|---|
MoveSelectedAtomsAction | 26114783-d199-4adf-97b9-27490548365c | mp-1104069 | Move atoms at indices [0, 10] by [ 1.689 0.324 -0.16 ] 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... |
MoveSelectedAtomsAction | f24321e8-afcc-4138-9d43-1dd23b1bedd1 | mp-1211390 | Move atoms at indices [12, 3, 11, 1, 6, 0, 2, 7, 8, 10] by [-0.881 0.701 -2.9 ] 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 ... |
MoveSelectedAtomsAction | 819acd83-e65a-4ced-8d2c-52c9e54b747b | mp-1026902 | Move atoms at indices [14, 1, 6, 9, 8, 0] by [-1.679 4.813 -0.125] 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 ... |
MoveSelectedAtomsAction | 456ebdf1-0a7f-4722-9d47-f4394fc8f7d3 | mp-984755 | Move atoms at indices [4, 2, 22, 11, 25, 16, 32, 26, 31, 13, 17] by [2.131 1.403 1.243] 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... |
MoveSelectedAtomsAction | 7a6021f5-bbb9-4266-8a50-72de282a268b | mp-756100 | Move atoms at indices [1, 2, 9, 10, 3, 8, 11] by [-1.364 -4.646 -0.098] 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... |
MoveSelectedAtomsAction | 491910cc-2b58-4c2a-b9c5-5866f2063297 | mp-1216993 | Move atoms at indices [6] by [0.371 3.113 1.325] 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... |
MoveSelectedAtomsAction | c8cc4796-d3e0-428b-a65d-d2212033b5a6 | mp-1229042 | Move atoms at indices [25, 6, 9, 0, 38, 14, 27, 15] by [-0.581 -2.308 -1.128] 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... |
MoveSelectedAtomsAction | 35cd2bde-622a-43b2-9c1d-90edec5a9d9f | mp-758894 | Move atoms at indices [23, 8, 13, 1, 25, 6, 33, 16, 26, 17, 21, 35, 24, 2, 18, 4, 11, 28, 29, 19, 12, 0, 27, 15, 32, 3, 7, 14] by [ 3.393 2.821 -3.712] 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... |
MoveSelectedAtomsAction | 68f9cae7-9e63-44c1-93b8-5d2924954f73 | mp-1196371 | Move atoms at indices [55, 50, 51, 1, 18, 20, 56, 34, 43, 36, 14, 47, 7, 21, 37, 46, 33, 52, 23, 45, 5, 15, 32, 49, 48, 60, 6, 41, 54, 31, 26, 61, 39, 17, 24, 58, 35, 44, 27, 3, 53, 38, 12, 10, 30, 28, 9] by [-0.283 -0.473 1.557] 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-... |
MoveSelectedAtomsAction | 77b1cc07-e535-49c7-8535-9f8144c60c76 | mp-1209763 | Move atoms at indices [5, 9, 17, 7, 30, 0, 2, 18, 24, 3, 20, 1, 22, 10, 26, 25, 23, 12, 19, 14, 31, 11, 27, 21, 4, 8, 29, 15] by [-2.139 2.519 1.095] 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... |
MoveSelectedAtomsAction | 9ad16c7f-8041-4c84-91fe-dba33f15d37f | mp-1188770 | Move atoms at indices [8, 14, 9, 7, 4, 11, 10, 15, 2] by [ 0.094 0.241 -1.298] 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... |
MoveSelectedAtomsAction | a62a4157-d137-4a63-abf2-865a92ed6982 | mp-772660 | Move atoms at indices [16, 15] by [ 2.249 -0.721 1.009] 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-... |
MoveSelectedAtomsAction | a05717cd-19df-4a47-965b-17f58e0ad565 | mp-600038 | Move atoms at indices [22, 19, 21, 7, 27, 23, 24, 29, 20, 28, 0] by [-2.991 3.538 -1.051] 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... |
MoveSelectedAtomsAction | 5a089ce2-9c48-414f-80ef-027ea47236a6 | mp-531064 | Move atoms at indices [28, 57, 9, 29, 63, 22, 17, 12, 2, 77, 30, 73, 74, 82, 56, 45, 27, 79, 85, 38, 23, 43, 80, 62, 51, 37, 41, 64, 50, 10, 7, 46, 67, 32, 75, 53] by [2.608 0.919 2.26 ] 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... |
MoveSelectedAtomsAction | baee13cf-cb1a-49e3-bd9b-38223e656350 | mp-1518110 | Move atoms at indices [0, 2, 6, 1, 4, 3, 5, 9] by [ 0.115 -0.882 0.333] 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... |
MoveSelectedAtomsAction | 74815f16-7ce1-40e6-93ec-eec1d24b4ed3 | mp-1224634 | Move atoms at indices [27, 30, 8, 17, 31, 24, 22, 10, 34, 35, 38, 0] by [2.471 1.755 2.859] 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... |
MoveSelectedAtomsAction | 8bee0f55-94f9-4c22-a89e-b324cc4fec33 | mp-21286 | Move atoms at indices [7, 2, 5] by [ 1.67 -2.187 0.087] 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 ... |
MoveSelectedAtomsAction | 5be1a15e-30ec-4ea9-b4ad-19e7374fe7df | mp-1111080 | Move atoms at indices [8, 3, 4, 6, 5, 7, 0, 9] by [ 0.29 -1.828 0.444] 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... |
MoveSelectedAtomsAction | 2ef00e58-2367-4d39-9a96-3703bb0db70e | mp-1237261 | Move atoms at indices [8, 7, 0, 9, 1] by [-0.28 1.203 1.333] 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... |
MoveSelectedAtomsAction | 75f2decd-4a80-4f6c-8f70-c07eec3b9d88 | mp-1198355 | Move atoms at indices [21, 40, 8, 53, 26, 58, 14, 57, 51, 25] by [3.183 0.65 1.793] 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 "... |
MoveSelectedAtomsAction | 1d0241bf-860a-4756-9967-50c894d90aa2 | mp-1519604 | Move atoms at indices [1, 17, 11, 13, 14, 4, 0, 3, 12, 10, 16] by [-1.282 0.198 5.104] 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_... |
MoveSelectedAtomsAction | a5ae8cd5-56a9-4a12-baf5-cfeb4dc8afe9 | mp-753615 | Move atoms at indices [12, 6, 2, 4, 11, 7, 8, 5] by [ 3.779 2.774 -3.412] 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... |
MoveSelectedAtomsAction | a173eb03-7374-4a0a-8834-e77ce9edfe0e | mp-14550 | Move atoms at indices [12, 0, 17, 4, 8, 9, 11, 19, 10, 1, 3, 16, 14, 2, 15, 6, 5, 13, 7] by [ 1.936 -2.4 2.867] 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... |
MoveSelectedAtomsAction | 80b6775b-bf1a-4c58-a8a6-aab88fdde10d | mp-753161 | Move atoms at indices [27, 6, 0, 2, 9, 15, 22, 11, 26, 23] by [ 0.861 -2.93 -2.156] 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... |
MoveSelectedAtomsAction | 3dc53213-6297-4df0-a44c-fea1df3a3301 | mp-677070 | Move atoms at indices [19, 23, 20, 0, 24, 30, 45, 29, 18, 47, 17, 34, 38, 48, 15, 10, 9, 2, 41, 36, 27, 32, 33, 12, 13, 40, 1, 6, 14, 35, 46, 44, 25, 22, 42, 11, 31, 3, 39, 5] by [-1.682 1.974 -1.295] 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_... |
MoveSelectedAtomsAction | 91163eed-cb24-486a-9633-0d42d42d0f77 | mp-23675 | Move atoms at indices [6, 0, 2, 5, 9] by [ 1.059 0.756 -0.103] 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... |
MoveSelectedAtomsAction | 65a3e25d-60e7-4eaf-bee5-3f4faf140360 | mp-761404 | Move atoms at indices [4, 23, 7, 9, 13, 15, 26, 12, 5, 22, 14, 27, 19, 0, 21, 2, 20, 24, 16, 3, 11, 8, 6, 1, 25, 10] by [ 1.978 -1.008 1.613] 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... |
MoveSelectedAtomsAction | ee7576b0-a0a1-4853-8153-bc186aed3c2b | mp-30210 | Move atoms at indices [11, 9, 17, 1, 8, 13, 0, 7, 14, 4, 6, 10, 2, 12, 16, 3] by [ 3.605 -0.417 -1.002] 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... |
MoveSelectedAtomsAction | cf4fde9c-180e-4af4-8280-5f655ef0c99f | mp-1226157 | Move atoms at indices [7] by [-2.113 1.372 2.841] 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... |
MoveSelectedAtomsAction | 39cc1ee5-92b9-4f58-b0ca-90c11ab5a75d | mp-1177469 | Move atoms at indices [13, 14, 16, 20, 10, 21, 17, 9, 18, 0, 15] by [-4.980e+00 2.373e+00 -4.000e-03] 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... |
MoveSelectedAtomsAction | af695fc2-5eea-456b-bc6f-912332eacd4e | mp-1210214 | Move atoms at indices [17, 22, 16, 2, 4, 6, 14, 3, 12, 20, 0, 15, 27, 26, 7, 1] by [1.624 0.28 0.769] 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 ... |
MoveSelectedAtomsAction | 26ed49f8-821f-406f-861f-858a7182e043 | mp-4584 | Move atoms at indices [1, 10, 13, 7, 2, 6, 3, 12, 9] by [ 3.397 1.773 -3.033] 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"
... |
MoveSelectedAtomsAction | 6ef7942a-1ded-432c-83af-757965b4813a | mp-1105236 | Move atoms at indices [3, 2, 0, 15, 4, 8, 6, 13, 9, 7, 14, 5, 1, 10, 16, 11] by [-1.184 -0.16 1.56 ] 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_... |
MoveSelectedAtomsAction | 50b82c13-59ae-4e15-924a-5aa22cf37947 | mp-1096809 | Move atoms at indices [15, 16, 12, 9, 0, 5, 18, 6, 11, 24, 19, 27] by [-0.011 -0.125 -3.143] 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... |
MoveSelectedAtomsAction | c166936a-85e2-41c3-ab94-f5e0c3db08cc | mp-6144 | Move atoms at indices [3] by [ 0.146 -2.961 1.8 ] 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 ... |
MoveSelectedAtomsAction | e2cdef90-d8af-4312-a619-ee9e8363fc2c | mp-755978 | Move atoms at indices [9, 17, 4, 6] by [ 2.187 -1.775 3.127] 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... |
MoveSelectedAtomsAction | 7b1c8a93-bc58-49be-8e09-e58a5367e2a3 | mp-7152 | Move atoms at indices [11] by [-2.576 3.455 -1.75 ] 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 ... |
MoveSelectedAtomsAction | 3ee77eb8-554c-4436-8d5a-6e9345167d64 | mp-758323 | Move atoms at indices [18, 34, 35, 9, 6, 16, 25, 3, 23, 21, 14, 22, 0, 32, 7, 26, 27, 20] by [-2.049 -1.162 -0.145] 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... |
MoveSelectedAtomsAction | 1fb804f7-0e60-4d48-9fe4-0c66fed574cd | mp-30524 | Move atoms at indices [22, 17, 7, 8, 10, 27, 12, 20, 11, 15, 30, 28, 19, 29, 18, 3, 5, 24] by [ 2.249 0.742 -0.933] 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... |
MoveSelectedAtomsAction | 9df3231b-f254-4f51-90a9-84af0a0400d7 | mp-11639 | Move atoms at indices [11, 8, 10, 0, 2, 6] by [2.167 1.656 1.241] 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... |
MoveSelectedAtomsAction | 9dc182c5-0092-4959-b752-e80b2a13b83d | mp-556333 | Move atoms at indices [16, 41, 34, 12, 23, 18, 1, 36, 32, 2, 3, 5, 14, 13, 39, 7, 42, 8, 6, 25, 26, 15, 31, 0, 24, 43, 29, 37] by [1.671 1.581 1.814] 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... |
MoveSelectedAtomsAction | 57bfecf6-be59-4b72-9316-320beb00b6ff | mp-1037954 | Move atoms at indices [0, 45, 21, 4, 28, 17, 8, 30, 62, 55, 44, 58, 53, 48, 14, 22, 1, 7, 13, 38, 36, 19, 47, 5, 40, 60, 2, 10, 54, 46, 32, 57, 16, 20, 52, 31, 9, 12, 26, 39, 25, 41, 29, 18, 3] by [-2.032 1.195 -0.333] 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... |
MoveSelectedAtomsAction | 22ea8133-1324-42a3-bfec-1beffa3d221b | mp-1176288 | Move atoms at indices [13, 19, 26, 2, 1, 20, 4, 17, 31, 6, 9, 27, 15, 23, 24, 28, 18, 12, 7, 30, 10, 25, 0, 8, 5, 14, 21, 29, 16, 22] by [-0.708 -1.409 -1.496] 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 ... |
MoveSelectedAtomsAction | bf84b7df-ed13-4f58-b889-274af5c6f183 | mp-1208067 | Move atoms at indices [6] by [ 0.472 -2.909 -2.316] 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... |
MoveSelectedAtomsAction | 7db50066-3614-43bc-b551-a21e0c0f5f6c | mp-1205145 | Move atoms at indices [66, 0, 80, 57, 86, 3, 79, 65, 19, 22, 50, 67, 27, 82, 52, 24, 1, 83, 18, 2, 12, 38, 5, 30, 59, 34, 81, 46, 61, 68, 55, 21, 29, 17, 20, 56, 69, 6, 37, 54, 47, 60, 51, 36, 9, 28, 75, 63, 44, 72, 77, 58, 40, 4, 85, 49, 33, 78, 62, 43] by [-1.874 -0.66 2.445] 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 "... |
MoveSelectedAtomsAction | cd926f86-bd05-4809-a97e-6c57e8b125c8 | mp-1033461 | Move atoms at indices [15, 6, 12, 7, 1, 4, 13, 9, 3, 10, 8, 11, 14, 5, 2, 0] by [-3.089 -3.77 2.126] 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"
_... |
MoveSelectedAtomsAction | c776da70-14bc-42e6-a3c7-389ccbbd6439 | mp-1103256 | Move atoms at indices [1, 6] by [ 1.147 -0.932 0.315] 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... |
MoveSelectedAtomsAction | 10b8e37f-1a9f-46e5-806e-85edc34b896c | mp-1198143 | Move atoms at indices [50, 18, 17] by [ 2.306 -3.239 -1.589] 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_... |
MoveSelectedAtomsAction | ccb9fd4e-efc7-4ef0-b96a-a62d3db8b084 | mp-758053 | Move atoms at indices [0, 11, 5, 8, 10, 6, 2, 1] by [-1.603 1.378 1.379] 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... |
MoveSelectedAtomsAction | 825c0f87-45d0-4043-9482-b6b2691ba205 | mp-1221055 | Move atoms at indices [50, 14, 52, 38, 9, 15, 2, 39, 4, 5, 45, 31, 41, 32, 6, 12, 49, 8, 40, 3, 43, 21, 27, 42, 35, 7, 26, 11, 33, 13, 34, 29, 47, 24, 36, 18, 28, 48, 30, 46, 1, 19, 51, 10, 22, 37, 0, 25, 17, 16, 20, 44, 23] by [ 2.165 1.8 -2.711] 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... |
MoveSelectedAtomsAction | f2b71f92-8ac3-4371-9421-d8a341cbf40f | mp-23565 | Move atoms at indices [15, 11, 10, 13, 5, 8, 6, 14, 17, 18, 7, 4] by [ 0.866 1.081 -2.657] 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... |
MoveSelectedAtomsAction | 5efe0cb3-28fc-4818-a9ac-2b1e160cafea | mp-1233440 | Move atoms at indices [14, 24, 29, 6, 23, 20, 30, 13, 9, 0, 19, 27, 2, 11, 33, 16, 12, 26, 3, 21, 32] by [-2.868 0.051 -0.503] 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_... |
MoveSelectedAtomsAction | 9f8e7c1f-e3fd-436a-80df-6ef3f9ade258 | mp-776448 | Move atoms at indices [18, 14, 21, 11, 8, 13, 3, 9, 4, 15, 10, 5, 12, 0, 19, 17, 7, 22] by [ 3.771 -2.929 -1.255] 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... |
MoveSelectedAtomsAction | 39e4fc73-7857-4015-bdb5-29f72a9f3826 | mp-850204 | Move atoms at indices [9, 4, 3, 5, 6, 8, 11, 10, 2, 12, 13, 0, 1] by [ 1.025 0.427 -0.636] 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.... |
MoveSelectedAtomsAction | df32e540-4cea-4bf3-87dd-8554042036ea | mp-761075 | Move atoms at indices [55, 27, 48, 26, 24, 44, 1, 58, 21, 54, 4, 28] by [-0.111 -1.375 -1.754] 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... |
MoveSelectedAtomsAction | c5de45cd-be32-414c-93bc-a36a2a11d18a | mp-1221008 | Move atoms at indices [64, 80, 25, 10, 74, 15, 36, 67, 78, 79, 75, 30, 22, 57, 3, 9, 31] by [-1.444 0.78 2.809] 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... |
MoveSelectedAtomsAction | d4f60b7c-c021-4c26-92de-0b00666b430a | mp-1022621 | Move atoms at indices [11, 9, 0, 8, 2, 7, 4, 10, 1] by [ 1.917 0.619 -3.725] 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_... |
MoveSelectedAtomsAction | 4876d36e-5717-4ce8-aa74-f2ebdb2f00cf | mp-1195048 | Move atoms at indices [1, 21, 30, 22, 14, 36, 28, 26, 10, 43, 42, 17, 5, 9, 37, 25, 27, 23, 2, 46, 44, 4, 51, 40, 29, 6, 8, 31, 38, 13, 16, 15, 11, 50, 49, 32, 20, 3, 12, 34, 19, 18, 7, 33, 35, 47] by [-2.309 -1.671 -2.938] 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... |
MoveSelectedAtomsAction | 7d31d6f7-7a40-4fc8-b717-35a0a6be172f | mp-1520689 | Move atoms at indices [0, 14, 5, 13, 9, 10, 16, 17, 6, 3, 1, 8, 7] by [-0.267 3.047 0.122] 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"
_... |
MoveSelectedAtomsAction | 3f950724-506b-4f1c-85f4-607e51ac0af7 | mp-1208808 | Move atoms at indices [16, 10, 6, 1, 8, 12, 9, 14, 11, 19, 0, 13, 17] by [ 0.088 -0.884 0.049] 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-... |
MoveSelectedAtomsAction | 29206786-884e-4c20-a4c3-9d0ad3180755 | mp-649415 | Move atoms at indices [18, 14, 0, 4] by [-1.058 -3.328 -1.13 ] 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... |
MoveSelectedAtomsAction | c0acc514-3b24-46b2-b75d-3dcaad583f62 | mp-540267 | Move atoms at indices [4, 9, 13, 5, 8, 15, 6, 12, 18] by [-2.971 -2.164 -1.62 ] 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... |
MoveSelectedAtomsAction | 173fa5b9-5866-49af-ac11-01e1a6322a65 | mp-21322 | Move atoms at indices [12, 6, 1, 2, 11, 5, 0, 8, 10, 7, 9, 3, 4] by [-1.192 -1.896 -0.41 ] 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... |
MoveSelectedAtomsAction | 8e954352-159c-4ead-bce5-9c6738db8ff7 | mp-685444 | Move atoms at indices [79, 10, 27, 45, 84, 96, 58, 67, 56] by [0.223 5.149 1.608] 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... |
MoveSelectedAtomsAction | e2095825-2329-44f2-ae8f-ebb3f51d46f8 | mp-1182197 | Move atoms at indices [3, 0, 2, 8, 9, 7, 4, 5, 6, 13] by [ 2.216 -0.184 -1.537] 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... |
MoveSelectedAtomsAction | fa41b8af-fe0a-4ea6-861e-af79e6f3bddc | mp-1029037 | Move atoms at indices [7, 11, 6, 2, 8, 0, 10, 1, 3] by [1.577 1.373 1.321] 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 "... |
MoveSelectedAtomsAction | 729800a7-6cb7-4599-a819-ca9a2dfc4fff | mp-1205276 | Move atoms at indices [34, 24, 3, 27, 15, 35, 1, 30, 44, 2, 39, 29, 19, 9, 22, 5, 10, 41, 38, 14, 17, 23, 26, 8, 32, 21, 42, 43, 7, 28, 4, 11, 6, 31, 40, 20, 18, 47] by [-4.153 -1.353 -4.486] 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"
_... |
MoveSelectedAtomsAction | 52b07441-7917-434a-a7b1-ca77b5706a3a | mp-2218579 | Move atoms at indices [6, 0, 1] by [-3.37 2.985 0.75 ] 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 ... |
MoveSelectedAtomsAction | 56eb0421-cc95-43ed-a9de-2ab1062e33b7 | mp-1037436 | Move atoms at indices [51, 34, 8, 46, 18, 57, 13, 52, 27, 56, 38, 35, 39, 0, 31, 20, 54, 14, 36, 16, 47, 9, 24, 44, 15, 1, 42] by [-2.04 3.684 -3.19 ] 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... |
MoveSelectedAtomsAction | 3451722b-6088-4d88-9c13-adf4e3b2f3da | mp-567566 | Move atoms at indices [4, 18] by [-1.973 -0.839 2.338] 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... |
MoveSelectedAtomsAction | 6525c886-1fe9-459a-a777-59e28f8d1447 | mp-540477 | Move atoms at indices [18, 7, 0, 10, 13, 8, 14, 3, 16, 6, 2, 4, 5, 1, 12, 9, 11, 17, 15] by [-3.797 -1.052 -0.113] 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... |
MoveSelectedAtomsAction | 5104e7d5-1c46-400c-bb72-c13c704fa34e | mp-2459381 | Move atoms at indices [7, 8] by [-0.402 1.044 3.461] 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... |
MoveSelectedAtomsAction | f98db879-05a7-4d50-a8fb-178d6a502d0a | mp-1182082 | Move atoms at indices [6, 13, 8] by [ 1.287 -2.638 0.19 ] 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... |
MoveSelectedAtomsAction | 1706b8fd-2ad3-4a68-921a-2d35449a3435 | mp-554704 | Move atoms at indices [22, 16, 13, 31, 25, 28, 9, 6, 4, 11, 27, 15, 2, 12, 24, 18, 0, 29, 17, 8, 5, 23, 19, 21, 14, 10] by [ 1.596 0.327 -4.148] 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_... |
MoveSelectedAtomsAction | 97825e72-e7ef-4916-ba3c-0e7fd5ff4056 | mp-1247259 | Move atoms at indices [11, 7] by [1.95 2.117 2.001] 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 ... |
MoveSelectedAtomsAction | e7317f0e-02b0-48ce-81a8-4007b010bf0a | mp-1347506 | Move atoms at indices [17, 19, 8, 10, 3, 5, 16, 2, 0, 1, 15, 18, 14, 13, 6, 12, 4, 9, 7, 11] by [-0.172 -1.224 -3.834] 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 ... |
MoveSelectedAtomsAction | 8dd56a41-a6e8-4612-b8f2-c2a73524c5d7 | mp-1203790 | Move atoms at indices [11, 8, 43, 35, 20, 27, 57, 40, 41, 45, 21, 32, 5, 52, 46, 65, 16, 38, 42, 4, 22, 15, 67, 29, 26, 62, 17, 50, 60, 28, 33, 36, 44, 31, 30, 58, 25, 56, 7, 51, 6, 61, 23, 64, 1, 39, 2, 34, 24, 66, 55, 54, 13, 59] by [ 1.985 0.184 -2.129] 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... |
MoveSelectedAtomsAction | bbbcfd97-c84e-4108-a9bd-2cc379ec0751 | mp-778833 | Move atoms at indices [0, 2, 7, 13, 3, 6, 9, 15, 11, 10, 16, 12, 1, 8, 4, 17] by [ 1.046 -2.971 -3.184] 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... |
MoveSelectedAtomsAction | 066d8ab5-6357-4230-b99a-00f217ffb9ed | mp-1045551 | Move atoms at indices [1, 10, 8, 13, 11] by [-2.071 0.318 1.574] 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... |
MoveSelectedAtomsAction | 9d258644-15d8-44fe-9477-5a4a293c1b7b | mp-559052 | Move atoms at indices [27, 8, 41, 21, 23, 10, 30, 6, 16, 34, 35, 2, 15, 3, 17, 43, 20, 5, 39, 9, 12, 26, 36, 40, 7] by [-2.477 2.15 -2.405] 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... |
MoveSelectedAtomsAction | c43f5332-89e4-4ac9-89e1-957ab950c0b7 | mp-753615 | Move atoms at indices [4, 5, 0] by [ 0.824 -1.565 -2.428] 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... |
MoveSelectedAtomsAction | 7f0ad2e8-c4ae-4e9d-bfb4-1f3223979145 | mp-769018 | Move atoms at indices [47, 46, 23, 7, 41, 3, 1, 65, 49, 45, 11, 58, 25, 37, 33, 29, 68, 60, 14, 61, 16, 63, 0, 59, 5, 43, 24, 9, 4, 40, 30, 56, 12, 20, 50, 57, 54, 71, 31, 8, 15, 22, 26, 28, 69, 36, 64, 21] by [-0.171 1.114 -0.24 ] 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_... |
MoveSelectedAtomsAction | 952ac797-468b-4b13-95e0-705fdf0b926a | mp-1212062 | Move atoms at indices [8, 9, 3, 30, 1, 18, 14, 0, 13, 22, 24, 17] by [-1.826 -0.817 -1.758] 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... |
MoveSelectedAtomsAction | f73a27a6-422f-4d5c-ad5b-04f35fd79589 | mp-2218660 | Move atoms at indices [8] by [ 1.192 -0.296 1.188] 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
_... |
MoveSelectedAtomsAction | 627e1c9d-99b1-436b-9ec9-96e7261869c5 | mp-758762 | Move atoms at indices [21, 6, 41, 15, 43, 8, 13, 30, 37, 7, 9, 24, 5, 39, 18, 27] by [-2.798 -2.063 -1.402] 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 "... |
MoveSelectedAtomsAction | 6c24ba54-affa-4888-8429-330f553a4031 | mp-1304017 | Move atoms at indices [8, 7, 9, 16, 13, 22, 14, 15, 24] by [-0.81 -0.428 1.765] 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... |
MoveSelectedAtomsAction | b4a302b9-90ac-46c2-a66d-9ecbd1da496a | mp-1224634 | Move atoms at indices [23, 5, 2, 20] by [0.871 2.665 2.114] 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... |
MoveSelectedAtomsAction | 2e4ca2fc-73a0-47fa-8f26-ca61910c227f | mp-541971 | Move atoms at indices [4, 1] by [3.08 1.952 1.84 ] 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... |
MoveSelectedAtomsAction | 4140bc12-eba7-4ed2-9880-1f9bf64513de | mp-1247520 | Move atoms at indices [11, 12, 5, 3, 1, 8, 17, 10, 9, 14] by [-0.989 0.568 1.303] 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... |
MoveSelectedAtomsAction | 8effa84a-41e6-4211-8693-7b13189a31bf | mp-1172905 | Move atoms at indices [11, 10, 2, 7, 4] by [ 0.858 -2.678 3.036] 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"... |
MoveSelectedAtomsAction | 22eb5e28-b278-491b-84ac-d6ae0ecb2725 | mp-772276 | Move atoms at indices [11, 27, 19, 15, 13, 8, 23, 26, 24, 21, 1, 25, 4, 2, 16, 9, 0, 14] by [-1.497 -0.076 1.417] 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
_... |
MoveSelectedAtomsAction | 39fec440-4813-4b6b-9e6c-81ab12ec29b1 | mp-28092 | Move atoms at indices [18, 30, 46, 15, 40, 69, 84, 13, 41, 42, 39, 16, 91, 20, 48, 37, 44, 93, 92, 51, 77, 71, 88, 1, 57, 66, 85, 74, 3, 45, 89, 60, 90, 78, 25, 7, 33, 5, 43, 34, 23, 9, 47, 79, 67, 75, 4, 19, 56, 80, 81, 22, 68, 62, 8, 32, 72, 35, 58, 17, 64, 50, 36, 83, 61, 0, 2, 86, 21, 76, 14, 87, 73, 65, 6, 24, 28]... | 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... |
MoveSelectedAtomsAction | 933cea3b-9978-4ef0-9268-1eb06b3cd9d7 | mp-1519716 | Move atoms at indices [10, 25, 2, 39, 14, 15, 1, 34, 27, 17, 36, 5, 12, 23, 33, 22, 3, 9, 26, 8, 31, 37] by [-2.04 -1.948 0.643] 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 ... |
MoveSelectedAtomsAction | 847c4a4d-754b-4449-991a-f34593966984 | mp-1197452 | Move atoms at indices [30, 10, 3, 26, 13, 35, 5, 12, 33, 21, 16, 34, 19, 20, 7, 2, 18, 9, 32, 23, 24, 27, 22, 17] by [ 3.756 -1.941 -2.807] 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 "... |
MoveSelectedAtomsAction | 37a1e6b7-c90b-4a84-979c-15611cdaf6e1 | mp-1227514 | Move atoms at indices [8] by [ 0.945 -1.014 -2.058] 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_... |
MoveSelectedAtomsAction | 6d3a15b5-b50a-4305-8e11-6fe7ceeb3569 | mp-17461 | Move atoms at indices [1, 36, 35, 37, 5, 19, 21, 17, 20, 28, 42, 8, 29, 41, 4, 26, 32, 24, 39, 6] by [-0.92 1.38 0.505] 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... |
MoveSelectedAtomsAction | 337ace18-44e5-4332-8529-b0a8b54f7d35 | mp-1179245 | Move atoms at indices [33, 26, 9, 21, 36, 8, 14, 22, 15, 6, 17, 18, 32, 12, 7, 20, 0, 25, 37, 5, 24, 16, 35, 13, 10] by [ 3.362 0.329 -6.432] 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... |
MoveSelectedAtomsAction | 5c3e4571-e82e-4df3-87e2-4a00033b8dca | mp-1397105 | Move atoms at indices [11, 2, 1, 6, 17, 19, 20, 8, 23, 24] by [-1.324 -2.628 -3.602] 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... |
MoveSelectedAtomsAction | f90bc592-fe4b-47d1-8cf6-87aed801a885 | mp-1199467 | Move atoms at indices [3, 20, 6, 17, 13, 30, 2, 33, 12, 32, 9, 28, 0, 8, 22, 15, 19, 27, 11, 34] by [-2.948 0.608 -2.199] 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... |
MoveSelectedAtomsAction | a9c9addc-8a03-4d7b-8b2b-f67975d406cb | mp-569786 | Move atoms at indices [15, 17, 4, 21, 24, 19, 14, 23, 12, 1, 0, 13, 10, 20, 8, 26] by [-0.033 -0.608 -0.295] 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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