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 | 1ddd1001-3a51-4615-a73b-a96530668b9e | mp-1045731 | Move all surrounding atoms within 3.547 angstrom around the center atom at index 94 by [ 5.604 -0.901 -0.14 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca8Sb8As16Se8O56
_chemical_formula_sum "Ca8 Sb8 As16 Se8 O56"
_cell_length_a 11.04231938
_cell_length_b 13.262266809999998
_cell_length_c 13.259987380000002
_cell_angle_alpha 80.0333665
_cell_angle_beta 65.41174568
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Ca8Sb8As16Se8O56
_chemical_formula_sum "Ca8 Sb8 As16 Se8 O56"
_cell_length_a 11.04231938
_cell_length_b 13.262266809999998
_cell_length_c 13.259987380000002
_cell_angle_alpha 80.0333665
_cell_angle_beta 65.41174568
_cell_angle_gamma ... |
MoveAroundAtomAction | 7fe056d1-0667-4a39-a0a7-78ff1d67c393 | mp-11726 | Move all surrounding atoms within 3.164 angstrom around the center atom at index 13 by [1.339 1.386 1.469] angstrom in the cif file. | data_image0
_chemical_formula_structural La2Si8Ni18
_chemical_formula_sum "La2 Si8 Ni18"
_cell_length_a 7.9671485
_cell_length_b 7.9671485
_cell_length_c 7.9671485
_cell_angle_alpha 121.00716573999998
_cell_angle_beta 121.00716574
_cell_angle_gamma 88.26421403
_space_grou... | data_image0
_chemical_formula_structural La2Si8Ni18
_chemical_formula_sum "La2 Si8 Ni18"
_cell_length_a 7.9671485
_cell_length_b 7.9671485
_cell_length_c 7.9671485
_cell_angle_alpha 121.00716573999998
_cell_angle_beta 121.00716574
_cell_angle_gamma 88.26421403
_space_grou... |
MoveAroundAtomAction | da063787-2d80-41cf-a418-13bce9619e29 | mp-567505 | Move all surrounding atoms within 3.48 angstrom around the center atom at index 5 by [ 2.301 2.629 -0.201] angstrom in the cif file. | data_image0
_chemical_formula_structural Si8C8
_chemical_formula_sum "Si8 C8"
_cell_length_a 3.07718443
_cell_length_b 3.0771829699999995
_cell_length_c 20.12563135
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998351
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Si8C8
_chemical_formula_sum "Si8 C8"
_cell_length_a 3.07718443
_cell_length_b 3.0771829699999995
_cell_length_c 20.12563135
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998351
_space_group_name_H-M_alt "P... |
MoveAroundAtomAction | a67a3cc4-0563-4794-8f25-0ebc76cd2609 | mp-557006 | Move all surrounding atoms within 2.19 angstrom around the center atom at index 29 by [-1.91 1.766 1.561] angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Sb4S4O16F12
_chemical_formula_sum "Na8 Sb4 S4 O16 F12"
_cell_length_a 8.25681579
_cell_length_b 8.25681579
_cell_length_c 11.02966494
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 129.24259993
_space_group_name_... | data_image0
_chemical_formula_structural Na8Sb4S4O16F12
_chemical_formula_sum "Na8 Sb4 S4 O16 F12"
_cell_length_a 8.25681579
_cell_length_b 8.25681579
_cell_length_c 11.02966494
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 129.24259993
_space_group_name_... |
MoveAroundAtomAction | fa22b9b7-c6eb-4f52-8c85-662f9816aff6 | mp-1246483 | Move all surrounding atoms within 3.953 angstrom around the center atom at index 0 by [ 1.292 -1.524 -1.73 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Re2N8
_chemical_formula_sum "Li12 Re2 N8"
_cell_length_a 6.739893
_cell_length_b 6.739893
_cell_length_c 4.877962
_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 Li12Re2N8
_chemical_formula_sum "Li12 Re2 N8"
_cell_length_a 6.739893
_cell_length_b 6.739893
_cell_length_c 4.877962
_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 | 48ea762e-26be-4259-be0d-ad085c502760 | mp-1200471 | Move all surrounding atoms within 1.4 angstrom around the center atom at index 20 by [-0.614 3.524 2.431] angstrom in the cif file. | data_image0
_chemical_formula_structural CsV3B2P4H8O22
_chemical_formula_sum "Cs1 V3 B2 P4 H8 O22"
_cell_length_a 10.54751473
_cell_length_b 10.54751473
_cell_length_c 5.1309377199999995
_cell_angle_alpha 80.72800578
_cell_angle_beta 80.72800578
_cell_angle_gamma 125.37907... | data_image0
_chemical_formula_structural CsV3B2P4H8O22
_chemical_formula_sum "Cs1 V3 B2 P4 H8 O22"
_cell_length_a 10.54751473
_cell_length_b 10.54751473
_cell_length_c 5.1309377199999995
_cell_angle_alpha 80.72800578
_cell_angle_beta 80.72800578
_cell_angle_gamma 125.37907... |
MoveAroundAtomAction | d210ef50-77e6-4447-a503-40f28dcc1c0a | mp-504105 | Move all surrounding atoms within 3.233 angstrom around the center atom at index 2 by [0.88 4.045 0.018] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4P4W4O16
_chemical_formula_sum "Li4 P4 W4 O16"
_cell_length_a 4.689516
_cell_length_b 6.124034
_cell_length_c 11.217227
_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 Li4P4W4O16
_chemical_formula_sum "Li4 P4 W4 O16"
_cell_length_a 4.689516
_cell_length_b 6.124034
_cell_length_c 11.217227
_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 | 904b42e5-0e8e-4a82-ac0d-e61892101c99 | mp-1239200 | Move all surrounding atoms within 3.788 angstrom around the center atom at index 5 by [ 0.501 0.259 -0.84 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Cr16S32
_chemical_formula_sum "Na8 Cr16 S32"
_cell_length_a 11.588982
_cell_length_b 7.263585
_cell_length_c 12.057199
_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 Na8Cr16S32
_chemical_formula_sum "Na8 Cr16 S32"
_cell_length_a 11.588982
_cell_length_b 7.263585
_cell_length_c 12.057199
_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 | 249768e4-aec9-437f-9a14-f32f382f20b4 | mp-571622 | Move all surrounding atoms within 2.353 angstrom around the center atom at index 9 by [3.116 1.674 0.603] angstrom in the cif file. | data_image0
_chemical_formula_structural Be12Pt
_chemical_formula_sum "Be12 Pt1"
_cell_length_a 5.53737645
_cell_length_b 5.53737645
_cell_length_c 5.537376450000001
_cell_angle_alpha 98.1544715
_cell_angle_beta 98.1544715
_cell_angle_gamma 135.75109005
_space_group_name_... | data_image0
_chemical_formula_structural Be12Pt
_chemical_formula_sum "Be12 Pt1"
_cell_length_a 5.53737645
_cell_length_b 5.53737645
_cell_length_c 5.537376450000001
_cell_angle_alpha 98.1544715
_cell_angle_beta 98.1544715
_cell_angle_gamma 135.75109005
_space_group_name_... |
MoveAroundAtomAction | 01e02267-0aef-4521-a2d2-6143010956a1 | mp-690490 | Move all surrounding atoms within 2.971 angstrom around the center atom at index 4 by [ 2.73 1.636 -0.605] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti4V4O16
_chemical_formula_sum "Ti4 V4 O16"
_cell_length_a 3.003347
_cell_length_b 6.46329963
_cell_length_c 12.9995939
_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 Ti4V4O16
_chemical_formula_sum "Ti4 V4 O16"
_cell_length_a 3.003347
_cell_length_b 6.46329963
_cell_length_c 12.9995939
_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 | b5af8379-84a4-473a-8957-83a35066f54d | mp-757606 | Move all surrounding atoms within 3.037 angstrom around the center atom at index 26 by [ 3.225 -0.764 -1.374] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Ni4P4O16
_chemical_formula_sum "Li4 Ni4 P4 O16"
_cell_length_a 5.49464502
_cell_length_b 6.239611080000001
_cell_length_c 9.28187495
_cell_angle_alpha 105.10267002000002
_cell_angle_beta 80.98396444
_cell_angle_gamma 103.96264312... | data_image0
_chemical_formula_structural Li4Ni4P4O16
_chemical_formula_sum "Li4 Ni4 P4 O16"
_cell_length_a 5.49464502
_cell_length_b 6.239611080000001
_cell_length_c 9.28187495
_cell_angle_alpha 105.10267002000002
_cell_angle_beta 80.98396444
_cell_angle_gamma 103.96264312... |
MoveAroundAtomAction | 0347f65b-376d-4d74-af39-92206c7f0087 | mp-3188 | Move all surrounding atoms within 3.149 angstrom around the center atom at index 4 by [-3.051 0.706 -1.218] angstrom in the cif file. | data_image0
_chemical_formula_structural Zn2Sb4O12
_chemical_formula_sum "Zn2 Sb4 O12"
_cell_length_a 4.6784296
_cell_length_b 4.6784296
_cell_length_c 9.30171104
_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 Zn2Sb4O12
_chemical_formula_sum "Zn2 Sb4 O12"
_cell_length_a 4.6784296
_cell_length_b 4.6784296
_cell_length_c 9.30171104
_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 | 5125f8d5-54fe-4b7e-8113-b60cf23868f9 | mp-1096957 | Move all surrounding atoms within 2.668 angstrom around the center atom at index 16 by [-2.538 0.353 -2.493] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr24N48
_chemical_formula_sum "Cr24 N48"
_cell_length_a 5.55733
_cell_length_b 9.009159
_cell_length_c 29.151278
_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 Cr24N48
_chemical_formula_sum "Cr24 N48"
_cell_length_a 5.55733
_cell_length_b 9.009159
_cell_length_c 29.151278
_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 | 4fa92c91-a961-49ff-b54f-5431e3a45906 | mp-30533 | Move all surrounding atoms within 3.982 angstrom around the center atom at index 0 by [-2.685 -0.252 -0.29 ] angstrom in the cif file. | data_image0
_chemical_formula_structural K2Pt4S6
_chemical_formula_sum "K2 Pt4 S6"
_cell_length_a 7.6089531
_cell_length_b 7.60895477
_cell_length_c 7.60895312
_cell_angle_alpha 55.51466393000001
_cell_angle_beta 55.51466044
_cell_angle_gamma 55.51466319
_space_group_name... | data_image0
_chemical_formula_structural K2Pt4S6
_chemical_formula_sum "K2 Pt4 S6"
_cell_length_a 7.6089531
_cell_length_b 7.60895477
_cell_length_c 7.60895312
_cell_angle_alpha 55.51466393000001
_cell_angle_beta 55.51466044
_cell_angle_gamma 55.51466319
_space_group_name... |
MoveAroundAtomAction | 3cbae8b4-e22b-45c0-8f4b-13f58486f82c | mp-1229042 | Move all surrounding atoms within 3.967 angstrom around the center atom at index 9 by [ 4.691 -3.724 -0.318] 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 | 31e21326-217e-4d02-9085-411a8c1067c8 | mp-1016342 | Move all surrounding atoms within 3.498 angstrom around the center atom at index 15 by [-0.138 -0.916 -0.343] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2Mg12Sb2
_chemical_formula_sum "Sr2 Mg12 Sb2"
_cell_length_a 5.19019
_cell_length_b 6.954601
_cell_length_c 11.657676
_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 Sr2Mg12Sb2
_chemical_formula_sum "Sr2 Mg12 Sb2"
_cell_length_a 5.19019
_cell_length_b 6.954601
_cell_length_c 11.657676
_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 | a5c7e26d-82c0-440e-832a-ddb7c2c0a1fb | mp-1213157 | Move all surrounding atoms within 2.692 angstrom around the center atom at index 6 by [-0.399 1.933 0.014] angstrom in the cif file. | data_image0
_chemical_formula_structural CsScW2O8
_chemical_formula_sum "Cs1 Sc1 W2 O8"
_cell_length_a 5.9272544
_cell_length_b 5.9272544
_cell_length_c 8.105797
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000445999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural CsScW2O8
_chemical_formula_sum "Cs1 Sc1 W2 O8"
_cell_length_a 5.9272544
_cell_length_b 5.9272544
_cell_length_c 8.105797
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000445999999
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | 55b41276-e966-4349-be24-7d9dab0553bc | mp-1349418 | Move all surrounding atoms within 2.043 angstrom around the center atom at index 43 by [ 0.421 2.805 -1.823] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4Mo12O28
_chemical_formula_sum "Mg4 Mo12 O28"
_cell_length_a 5.765112
_cell_length_b 9.952709
_cell_length_c 11.030421
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Mg4Mo12O28
_chemical_formula_sum "Mg4 Mo12 O28"
_cell_length_a 5.765112
_cell_length_b 9.952709
_cell_length_c 11.030421
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
MoveAroundAtomAction | 2e565953-dd9d-4272-a0cf-d4ee31a27b06 | mp-19873 | Move all surrounding atoms within 2.741 angstrom around the center atom at index 5 by [ 2.143 -0.927 -1.16 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Dy4Si4Ru4
_chemical_formula_sum "Dy4 Si4 Ru4"
_cell_length_a 4.34407646
_cell_length_b 6.98785418
_cell_length_c 7.00979702
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Dy4Si4Ru4
_chemical_formula_sum "Dy4 Si4 Ru4"
_cell_length_a 4.34407646
_cell_length_b 6.98785418
_cell_length_c 7.00979702
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveAroundAtomAction | 713e9019-160f-48c1-9955-b54f79368670 | mp-1352636 | Move all surrounding atoms within 3.982 angstrom around the center atom at index 13 by [ 5.197 -0.772 0.959] angstrom in the cif file. | data_image0
_chemical_formula_structural Y4Cr12O36
_chemical_formula_sum "Y4 Cr12 O36"
_cell_length_a 5.574485
_cell_length_b 8.04990414
_cell_length_c 16.05674558
_cell_angle_alpha 90.17412906
_cell_angle_beta 90.07333635
_cell_angle_gamma 90.2540626
_space_group_name_H-... | data_image0
_chemical_formula_structural Y4Cr12O36
_chemical_formula_sum "Y4 Cr12 O36"
_cell_length_a 5.574485
_cell_length_b 8.04990414
_cell_length_c 16.05674558
_cell_angle_alpha 90.17412906
_cell_angle_beta 90.07333635
_cell_angle_gamma 90.2540626
_space_group_name_H-... |
MoveAroundAtomAction | 204e3057-cd8e-4273-80cd-b61878e40a5f | mp-1003545 | Move all surrounding atoms within 1.387 angstrom around the center atom at index 12 by [ 0.21 2.577 -0.027] angstrom in the cif file. | data_image0
_chemical_formula_structural MgMn4O8
_chemical_formula_sum "Mg1 Mn4 O8"
_cell_length_a 5.279668
_cell_length_b 5.81958142
_cell_length_c 5.97625424
_cell_angle_alpha 117.59770881999998
_cell_angle_beta 89.56144663
_cell_angle_gamma 108.09900792999998
_space_gr... | data_image0
_chemical_formula_structural MgMn4O8
_chemical_formula_sum "Mg1 Mn4 O8"
_cell_length_a 5.279668
_cell_length_b 5.81958142
_cell_length_c 5.97625424
_cell_angle_alpha 117.59770881999998
_cell_angle_beta 89.56144663
_cell_angle_gamma 108.09900792999998
_space_gr... |
MoveAroundAtomAction | 5d1c3c40-586f-40ac-a018-1da8f1bb5ec9 | mp-1245618 | Move all surrounding atoms within 3.333 angstrom around the center atom at index 9 by [-2.2 2.157 2.554] angstrom in the cif file. | data_image0
_chemical_formula_structural Ge4Te2N4
_chemical_formula_sum "Ge4 Te2 N4"
_cell_length_a 6.99902437
_cell_length_b 5.90248045
_cell_length_c 5.3053502
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 114.93971298
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Ge4Te2N4
_chemical_formula_sum "Ge4 Te2 N4"
_cell_length_a 6.99902437
_cell_length_b 5.90248045
_cell_length_c 5.3053502
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 114.93971298
_space_group_name_H-M_alt "P 1"... |
MoveAroundAtomAction | 4bb60467-4409-4e64-99e8-324c497a16e0 | mp-28092 | Move all surrounding atoms within 2.827 angstrom around the center atom at index 44 by [-2.213 -0.036 -3.77 ] 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 | 1e424d84-5755-4786-8f9a-f72fcba1e13a | mp-6858 | Move all surrounding atoms within 2.609 angstrom around the center atom at index 6 by [ 2.492 0.712 -0.274] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2C2S2O6F6
_chemical_formula_sum "Rb2 C2 S2 O6 F6"
_cell_length_a 5.86024
_cell_length_b 5.285758
_cell_length_c 10.58239184
_cell_angle_alpha 76.40932463
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Rb2C2S2O6F6
_chemical_formula_sum "Rb2 C2 S2 O6 F6"
_cell_length_a 5.86024
_cell_length_b 5.285758
_cell_length_c 10.58239184
_cell_angle_alpha 76.40932463
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveAroundAtomAction | 95a6b7a4-de57-400c-9609-6df958d01c2f | mp-561525 | Move all surrounding atoms within 3.045 angstrom around the center atom at index 26 by [-2.245 2.823 2.211] angstrom in the cif file. | data_image0
_chemical_formula_structural K6Ga6B6O21
_chemical_formula_sum "K6 Ga6 B6 O21"
_cell_length_a 8.67961741
_cell_length_b 8.67961741
_cell_length_c 8.865656
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999549000002
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural K6Ga6B6O21
_chemical_formula_sum "K6 Ga6 B6 O21"
_cell_length_a 8.67961741
_cell_length_b 8.67961741
_cell_length_c 8.865656
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999549000002
_space_group_name_H-M_al... |
MoveAroundAtomAction | 1f44f061-fa92-4e7a-a9e3-55af4eb35e64 | mp-1028157 | Move all surrounding atoms within 3.128 angstrom around the center atom at index 7 by [-1.938 0.069 1.647] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14MnCu
_chemical_formula_sum "Mg14 Mn1 Cu1"
_cell_length_a 6.25919308
_cell_length_b 6.25859688
_cell_length_c 9.91951243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99685426
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Mg14MnCu
_chemical_formula_sum "Mg14 Mn1 Cu1"
_cell_length_a 6.25919308
_cell_length_b 6.25859688
_cell_length_c 9.91951243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99685426
_space_group_name_H-M_alt "P... |
MoveAroundAtomAction | 24758708-2699-407b-90fe-71aa75c42166 | mp-27209 | Move all surrounding atoms within 3.878 angstrom around the center atom at index 4 by [ 4.403 -1.982 1.71 ] angstrom in the cif file. | data_image0
_chemical_formula_structural K6Tl6F24
_chemical_formula_sum "K6 Tl6 F24"
_cell_length_a 8.07226259
_cell_length_b 8.07224347
_cell_length_c 10.17799314
_cell_angle_alpha 89.99942524000001
_cell_angle_beta 90.00111425
_cell_angle_gamma 119.99882286999998
_space... | data_image0
_chemical_formula_structural K6Tl6F24
_chemical_formula_sum "K6 Tl6 F24"
_cell_length_a 8.07226259
_cell_length_b 8.07224347
_cell_length_c 10.17799314
_cell_angle_alpha 89.99942524000001
_cell_angle_beta 90.00111425
_cell_angle_gamma 119.99882286999998
_space... |
MoveAroundAtomAction | bad7cde9-c084-4a54-8a9e-39bfefb36bf4 | mp-24674 | Move all surrounding atoms within 3.838 angstrom around the center atom at index 26 by [ 1.714 -1.167 -3.337] angstrom in the cif file. | data_image0
_chemical_formula_structural Be6P4H8O20
_chemical_formula_sum "Be6 P4 H8 O20"
_cell_length_a 8.40993268
_cell_length_b 8.40993268
_cell_length_c 9.64631995
_cell_angle_alpha 85.36159719
_cell_angle_beta 85.36159719
_cell_angle_gamma 31.91254212000001
_space_gr... | data_image0
_chemical_formula_structural Be6P4H8O20
_chemical_formula_sum "Be6 P4 H8 O20"
_cell_length_a 8.40993268
_cell_length_b 8.40993268
_cell_length_c 9.64631995
_cell_angle_alpha 85.36159719
_cell_angle_beta 85.36159719
_cell_angle_gamma 31.91254212000001
_space_gr... |
MoveAroundAtomAction | 3676a640-ed53-4c8a-8c37-4d2211706a5f | mp-1216939 | Move all surrounding atoms within 2.682 angstrom around the center atom at index 48 by [-2.749 -3.828 1.091] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti8Te8O24F16
_chemical_formula_sum "Ti8 Te8 O24 F16"
_cell_length_a 7.522666
_cell_length_b 6.628403
_cell_length_c 18.074032869999996
_cell_angle_alpha 68.4806878
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ti8Te8O24F16
_chemical_formula_sum "Ti8 Te8 O24 F16"
_cell_length_a 7.522666
_cell_length_b 6.628403
_cell_length_c 18.074032869999996
_cell_angle_alpha 68.4806878
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveAroundAtomAction | fd50c318-539e-4478-8357-95b2a6ea2bf2 | mp-1196290 | Move all surrounding atoms within 2.072 angstrom around the center atom at index 25 by [-3.059 2.739 0.245] angstrom in the cif file. | data_image0
_chemical_formula_structural Ge4P8O36
_chemical_formula_sum "Ge4 P8 O36"
_cell_length_a 4.876505
_cell_length_b 8.41757901
_cell_length_c 15.602034999999999
_cell_angle_alpha 99.61125826
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ge4P8O36
_chemical_formula_sum "Ge4 P8 O36"
_cell_length_a 4.876505
_cell_length_b 8.41757901
_cell_length_c 15.602034999999999
_cell_angle_alpha 99.61125826
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | 91589458-69c1-466c-b2ab-cd487c5cf418 | mp-1233619 | Move all surrounding atoms within 3.102 angstrom around the center atom at index 8 by [ 2.285 -0.236 1.411] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2MgZn2Sn2P4O16
_chemical_formula_sum "Sr2 Mg1 Zn2 Sn2 P4 O16"
_cell_length_a 5.56800446
_cell_length_b 7.7546931
_cell_length_c 10.101868360000001
_cell_angle_alpha 112.66910609
_cell_angle_beta 96.09810579
_cell_angle_gamma 91.71... | data_image0
_chemical_formula_structural Sr2MgZn2Sn2P4O16
_chemical_formula_sum "Sr2 Mg1 Zn2 Sn2 P4 O16"
_cell_length_a 5.56800446
_cell_length_b 7.7546931
_cell_length_c 10.101868360000001
_cell_angle_alpha 112.66910609
_cell_angle_beta 96.09810579
_cell_angle_gamma 91.71... |
MoveAroundAtomAction | 4e874fc2-ce4e-4365-9e34-a3cb8f794fc0 | mp-1210057 | Move all surrounding atoms within 2.417 angstrom around the center atom at index 35 by [-2.553 -0.702 2.118] angstrom in the cif file. | data_image0
_chemical_formula_structural P6Pb10Br2O24
_chemical_formula_sum "P6 Pb10 Br2 O24"
_cell_length_a 10.24810365
_cell_length_b 10.248103649999997
_cell_length_c 7.361383
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999774
_space_group_name... | data_image0
_chemical_formula_structural P6Pb10Br2O24
_chemical_formula_sum "P6 Pb10 Br2 O24"
_cell_length_a 10.24810365
_cell_length_b 10.248103649999997
_cell_length_c 7.361383
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999774
_space_group_name... |
MoveAroundAtomAction | 569ff34f-f3b0-4d8d-9f68-06e0c4e7cdbd | mp-1214717 | Move all surrounding atoms within 3.373 angstrom around the center atom at index 20 by [-0.139 -1.024 5.229] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba6Sr4Re6Cl2O30
_chemical_formula_sum "Ba6 Sr4 Re6 Cl2 O30"
_cell_length_a 10.90359366
_cell_length_b 10.90359366
_cell_length_c 7.820346
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999792
_space_group_name... | data_image0
_chemical_formula_structural Ba6Sr4Re6Cl2O30
_chemical_formula_sum "Ba6 Sr4 Re6 Cl2 O30"
_cell_length_a 10.90359366
_cell_length_b 10.90359366
_cell_length_c 7.820346
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999792
_space_group_name... |
MoveAroundAtomAction | 37f37512-3ae5-460a-9baa-419ed897301d | mp-18411 | Move all surrounding atoms within 2.728 angstrom around the center atom at index 23 by [0.62 2.061 0.63 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Na12Ge4Se12
_chemical_formula_sum "Na12 Ge4 Se12"
_cell_length_a 11.90035661
_cell_length_b 8.2376087
_cell_length_c 8.37020124
_cell_angle_alpha 60.720833670000005
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Na12Ge4Se12
_chemical_formula_sum "Na12 Ge4 Se12"
_cell_length_a 11.90035661
_cell_length_b 8.2376087
_cell_length_c 8.37020124
_cell_angle_alpha 60.720833670000005
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
MoveAroundAtomAction | b6ff1e3d-1a0b-43a0-b8d8-7ebfbaceb39d | mp-684504 | Move all surrounding atoms within 3.76 angstrom around the center atom at index 54 by [-2.243 -1.277 -2.002] angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Bi8P12O48
_chemical_formula_sum "Li12 Bi8 P12 O48"
_cell_length_a 9.233426
_cell_length_b 9.224183
_cell_length_c 16.03576682
_cell_angle_alpha 56.32682854
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li12Bi8P12O48
_chemical_formula_sum "Li12 Bi8 P12 O48"
_cell_length_a 9.233426
_cell_length_b 9.224183
_cell_length_c 16.03576682
_cell_angle_alpha 56.32682854
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | f4674679-52e0-492c-9871-6ea0120dc0eb | mp-989647 | Move all surrounding atoms within 2.862 angstrom around the center atom at index 2 by [-2.605 0.065 2.218] angstrom in the cif file. | data_image0
_chemical_formula_structural Y4Re4N12
_chemical_formula_sum "Y4 Re4 N12"
_cell_length_a 5.3829449
_cell_length_b 5.59557393
_cell_length_c 7.68551211
_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 Y4Re4N12
_chemical_formula_sum "Y4 Re4 N12"
_cell_length_a 5.3829449
_cell_length_b 5.59557393
_cell_length_c 7.68551211
_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 | d5c72c8a-6c02-4256-9ce4-e7d20f2e8d83 | mp-1219159 | Move all surrounding atoms within 3.37 angstrom around the center atom at index 1 by [-1.331 -1.132 -4.423] angstrom in the cif file. | data_image0
_chemical_formula_structural Sm6Ge3S14
_chemical_formula_sum "Sm6 Ge3 S14"
_cell_length_a 10.12390165
_cell_length_b 10.123891029999998
_cell_length_c 5.7705172099999995
_cell_angle_alpha 90.00000796
_cell_angle_beta 90.00005113
_cell_angle_gamma 119.9998358499... | data_image0
_chemical_formula_structural Sm6Ge3S14
_chemical_formula_sum "Sm6 Ge3 S14"
_cell_length_a 10.12390165
_cell_length_b 10.123891029999998
_cell_length_c 5.7705172099999995
_cell_angle_alpha 90.00000796
_cell_angle_beta 90.00005113
_cell_angle_gamma 119.9998358499... |
MoveAroundAtomAction | 280a4f4f-464f-42c9-8fa2-f84f448ba126 | mp-542176 | Move all surrounding atoms within 2.176 angstrom around the center atom at index 26 by [-0.456 -3.262 0.588] angstrom in the cif file. | data_image0
_chemical_formula_structural Cu4H32C16O20
_chemical_formula_sum "Cu4 H32 C16 O20"
_cell_length_a 7.97846796
_cell_length_b 7.97846796
_cell_length_c 13.94462419
_cell_angle_alpha 68.02758242999998
_cell_angle_beta 68.02758242999998
_cell_angle_gamma 66.35535008... | data_image0
_chemical_formula_structural Cu4H32C16O20
_chemical_formula_sum "Cu4 H32 C16 O20"
_cell_length_a 7.97846796
_cell_length_b 7.97846796
_cell_length_c 13.94462419
_cell_angle_alpha 68.02758242999998
_cell_angle_beta 68.02758242999998
_cell_angle_gamma 66.35535008... |
MoveAroundAtomAction | f3cdebb0-a014-4250-816e-9ae1a742553b | mp-759549 | Move all surrounding atoms within 3.419 angstrom around the center atom at index 11 by [ 2.66 0.324 -0.552] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn2P8O24
_chemical_formula_sum "Mn2 P8 O24"
_cell_length_a 8.773979
_cell_length_b 7.132297
_cell_length_c 8.45164641
_cell_angle_alpha 57.34594921
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Mn2P8O24
_chemical_formula_sum "Mn2 P8 O24"
_cell_length_a 8.773979
_cell_length_b 7.132297
_cell_length_c 8.45164641
_cell_angle_alpha 57.34594921
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveAroundAtomAction | eaf868ce-9de6-4575-bb32-af1a353ed6fc | mp-7596 | Move all surrounding atoms within 2.715 angstrom around the center atom at index 6 by [ 0.076 -0.349 0.786] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb4N4O4
_chemical_formula_sum "Nb4 N4 O4"
_cell_length_a 5.02537217
_cell_length_b 5.08412688
_cell_length_c 5.24459321
_cell_angle_alpha 90.0
_cell_angle_beta 99.61597434
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Nb4N4O4
_chemical_formula_sum "Nb4 N4 O4"
_cell_length_a 5.02537217
_cell_length_b 5.08412688
_cell_length_c 5.24459321
_cell_angle_alpha 90.0
_cell_angle_beta 99.61597434
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveAroundAtomAction | 633369d7-de37-4de9-8a4f-0024c7f5fe14 | mp-1221993 | Move all surrounding atoms within 2.858 angstrom around the center atom at index 6 by [ 0.978 -1.918 -1.216] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg2Zr2Si4O14
_chemical_formula_sum "Mg2 Zr2 Si4 O14"
_cell_length_a 6.62699437
_cell_length_b 6.62699437
_cell_length_c 6.62699437
_cell_angle_alpha 120.81728044000002
_cell_angle_beta 118.77618471
_cell_angle_gamma 90.3614645500000... | data_image0
_chemical_formula_structural Mg2Zr2Si4O14
_chemical_formula_sum "Mg2 Zr2 Si4 O14"
_cell_length_a 6.62699437
_cell_length_b 6.62699437
_cell_length_c 6.62699437
_cell_angle_alpha 120.81728044000002
_cell_angle_beta 118.77618471
_cell_angle_gamma 90.3614645500000... |
MoveAroundAtomAction | e5f6f0aa-bf87-4a6d-8a90-e7a7dddb28b7 | mp-26845 | Move all surrounding atoms within 2.596 angstrom around the center atom at index 3 by [ 0.408 1.486 -1.974] angstrom in the cif file. | data_image0
_chemical_formula_structural Li6Mn4P6O24
_chemical_formula_sum "Li6 Mn4 P6 O24"
_cell_length_a 8.81995309
_cell_length_b 8.81995309
_cell_length_c 11.515695880000003
_cell_angle_alpha 45.84620983999999
_cell_angle_beta 45.84620983999999
_cell_angle_gamma 60.270... | data_image0
_chemical_formula_structural Li6Mn4P6O24
_chemical_formula_sum "Li6 Mn4 P6 O24"
_cell_length_a 8.81995309
_cell_length_b 8.81995309
_cell_length_c 11.515695880000003
_cell_angle_alpha 45.84620983999999
_cell_angle_beta 45.84620983999999
_cell_angle_gamma 60.270... |
MoveAroundAtomAction | efeace82-d6fc-4b5c-b4ce-8fda6833b218 | mp-1208346 | Move all surrounding atoms within 2.622 angstrom around the center atom at index 16 by [-0.572 2.909 3.824] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb4Fe4B16
_chemical_formula_sum "Tb4 Fe4 B16"
_cell_length_a 3.42877021
_cell_length_b 5.90351878
_cell_length_c 11.43350165
_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 Tb4Fe4B16
_chemical_formula_sum "Tb4 Fe4 B16"
_cell_length_a 3.42877021
_cell_length_b 5.90351878
_cell_length_c 11.43350165
_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 | e1bb8908-ab7d-41a3-8dc9-aad3b39459a7 | mp-800259 | Move all surrounding atoms within 2.125 angstrom around the center atom at index 15 by [-1.912 0.211 2.344] angstrom in the cif file. | data_image0
_chemical_formula_structural Li5Cr3FeO8
_chemical_formula_sum "Li5 Cr3 Fe1 O8"
_cell_length_a 5.994255
_cell_length_b 5.9972526
_cell_length_c 6.05051969
_cell_angle_alpha 119.50204335000001
_cell_angle_beta 90.27845360999999
_cell_angle_gamma 119.8688950300000... | data_image0
_chemical_formula_structural Li5Cr3FeO8
_chemical_formula_sum "Li5 Cr3 Fe1 O8"
_cell_length_a 5.994255
_cell_length_b 5.9972526
_cell_length_c 6.05051969
_cell_angle_alpha 119.50204335000001
_cell_angle_beta 90.27845360999999
_cell_angle_gamma 119.8688950300000... |
MoveAroundAtomAction | 6034e122-8d86-4fb4-9ced-f9d78a4c2cbb | mp-1211033 | Move all surrounding atoms within 3.556 angstrom around the center atom at index 4 by [ 1.544 -3.623 2.815] angstrom in the cif file. | data_image0
_chemical_formula_structural Lu12In2Fe3
_chemical_formula_sum "Lu12 In2 Fe3"
_cell_length_a 8.15749244
_cell_length_b 8.15748797
_cell_length_c 8.15752811
_cell_angle_alpha 108.89905187
_cell_angle_beta 108.89905825
_cell_angle_gamma 110.62113047000001
_space_... | data_image0
_chemical_formula_structural Lu12In2Fe3
_chemical_formula_sum "Lu12 In2 Fe3"
_cell_length_a 8.15749244
_cell_length_b 8.15748797
_cell_length_c 8.15752811
_cell_angle_alpha 108.89905187
_cell_angle_beta 108.89905825
_cell_angle_gamma 110.62113047000001
_space_... |
MoveAroundAtomAction | 34605bc5-230c-4852-af6f-badf18dae950 | mp-704406 | Move all surrounding atoms within 1.854 angstrom around the center atom at index 28 by [-1.346 -2.817 -1.002] angstrom in the cif file. | data_image0
_chemical_formula_structural U9Mo18O72
_chemical_formula_sum "U9 Mo18 O72"
_cell_length_a 17.73976239
_cell_length_b 17.73976239
_cell_length_c 6.219
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000145999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural U9Mo18O72
_chemical_formula_sum "U9 Mo18 O72"
_cell_length_a 17.73976239
_cell_length_b 17.73976239
_cell_length_c 6.219
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000145999998
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | c95c69b4-04b0-49cb-b8b8-93a817ec2b46 | mp-1045114 | Move all surrounding atoms within 3.579 angstrom around the center atom at index 27 by [-1.404 1.243 -0.608] angstrom in the cif file. | data_image0
_chemical_formula_structural Al2V6Se4Cl2O16
_chemical_formula_sum "Al2 V6 Se4 Cl2 O16"
_cell_length_a 6.64995
_cell_length_b 8.00421245
_cell_length_c 9.98110253
_cell_angle_alpha 90.95969209
_cell_angle_beta 104.33704289
_cell_angle_gamma 90.33209238
_space_g... | data_image0
_chemical_formula_structural Al2V6Se4Cl2O16
_chemical_formula_sum "Al2 V6 Se4 Cl2 O16"
_cell_length_a 6.64995
_cell_length_b 8.00421245
_cell_length_c 9.98110253
_cell_angle_alpha 90.95969209
_cell_angle_beta 104.33704289
_cell_angle_gamma 90.33209238
_space_g... |
MoveAroundAtomAction | 439b12d2-f024-4acf-88fd-e193c782b49c | mp-1111627 | Move all surrounding atoms within 3.718 angstrom around the center atom at index 0 by [ 0.675 0.085 -4.051] angstrom in the cif file. | data_image0
_chemical_formula_structural K2NaPdF6
_chemical_formula_sum "K2 Na1 Pd1 F6"
_cell_length_a 6.08531146
_cell_length_b 6.08531146
_cell_length_c 6.08531146
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural K2NaPdF6
_chemical_formula_sum "K2 Na1 Pd1 F6"
_cell_length_a 6.08531146
_cell_length_b 6.08531146
_cell_length_c 6.08531146
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999999999... |
MoveAroundAtomAction | 02117085-aa29-47de-90d2-ab15d0d2114a | mp-1195295 | Move all surrounding atoms within 3.04 angstrom around the center atom at index 35 by [-1.011 -2.506 -0.333] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Fe20O28
_chemical_formula_sum "Ca4 Fe20 O28"
_cell_length_a 5.39499771
_cell_length_b 6.16721836
_cell_length_c 18.023941
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 106.70444981
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ca4Fe20O28
_chemical_formula_sum "Ca4 Fe20 O28"
_cell_length_a 5.39499771
_cell_length_b 6.16721836
_cell_length_c 18.023941
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 106.70444981
_space_group_name_H-M_alt "... |
MoveAroundAtomAction | d8664023-99bc-4f16-be6e-306ec4059368 | mp-1196284 | Move all surrounding atoms within 2.909 angstrom around the center atom at index 26 by [-0.432 0.404 -3.278] angstrom in the cif file. | data_image0
_chemical_formula_structural U6Al38Ni10
_chemical_formula_sum "U6 Al38 Ni10"
_cell_length_a 8.18645193
_cell_length_b 8.18645193
_cell_length_c 26.861989
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 151.21855284
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural U6Al38Ni10
_chemical_formula_sum "U6 Al38 Ni10"
_cell_length_a 8.18645193
_cell_length_b 8.18645193
_cell_length_c 26.861989
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 151.21855284
_space_group_name_H-M_alt "... |
MoveAroundAtomAction | 19fadf97-bfd7-4330-9613-0c5e7b59a6f1 | mp-28263 | Move all surrounding atoms within 3.6 angstrom around the center atom at index 20 by [-0.687 -0.264 0.775] angstrom in the cif file. | data_image0
_chemical_formula_structural K4H12O8
_chemical_formula_sum "K4 H12 O8"
_cell_length_a 5.69184007
_cell_length_b 5.7809945
_cell_length_c 7.87531014
_cell_angle_alpha 70.21423391
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural K4H12O8
_chemical_formula_sum "K4 H12 O8"
_cell_length_a 5.69184007
_cell_length_b 5.7809945
_cell_length_c 7.87531014
_cell_angle_alpha 70.21423391
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
MoveAroundAtomAction | f744b5fe-2f85-4d4c-b273-ecad2d965c21 | mp-1224446 | Move all surrounding atoms within 2.904 angstrom around the center atom at index 5 by [-0.005 -1.623 -2.694] angstrom in the cif file. | data_image0
_chemical_formula_structural Hf3TaFe8
_chemical_formula_sum "Hf3 Ta1 Fe8"
_cell_length_a 4.94351674
_cell_length_b 4.94351723
_cell_length_c 8.06256995
_cell_angle_alpha 89.99999899
_cell_angle_beta 89.99998777
_cell_angle_gamma 119.99922461000001
_space_group... | data_image0
_chemical_formula_structural Hf3TaFe8
_chemical_formula_sum "Hf3 Ta1 Fe8"
_cell_length_a 4.94351674
_cell_length_b 4.94351723
_cell_length_c 8.06256995
_cell_angle_alpha 89.99999899
_cell_angle_beta 89.99998777
_cell_angle_gamma 119.99922461000001
_space_group... |
MoveAroundAtomAction | fc355a8f-8fdd-43d3-9491-65383a8156e8 | mp-766284 | Move all surrounding atoms within 2.221 angstrom around the center atom at index 74 by [ 0.881 3.999 -1.602] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr16Ru12O48
_chemical_formula_sum "Sr16 Ru12 O48"
_cell_length_a 5.576479
_cell_length_b 9.793504
_cell_length_c 18.332635
_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 Sr16Ru12O48
_chemical_formula_sum "Sr16 Ru12 O48"
_cell_length_a 5.576479
_cell_length_b 9.793504
_cell_length_c 18.332635
_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 | a7f18181-a709-48db-a928-41691e1226ff | mp-1205906 | Move all surrounding atoms within 2.647 angstrom around the center atom at index 17 by [-0.071 2.838 -0.532] angstrom in the cif file. | data_image0
_chemical_formula_structural K2Mn2I2O12
_chemical_formula_sum "K2 Mn2 I2 O12"
_cell_length_a 5.12804591
_cell_length_b 5.12804591
_cell_length_c 12.256575
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999880000001
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural K2Mn2I2O12
_chemical_formula_sum "K2 Mn2 I2 O12"
_cell_length_a 5.12804591
_cell_length_b 5.12804591
_cell_length_c 12.256575
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999880000001
_space_group_name_H-M_a... |
MoveAroundAtomAction | f0f6ef20-31ce-48b9-a2ef-b130e9d1b907 | mp-1043615 | Move all surrounding atoms within 3.639 angstrom around the center atom at index 6 by [ 2.504 -0.387 2.843] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn6Zn2P8O28
_chemical_formula_sum "Mn6 Zn2 P8 O28"
_cell_length_a 7.541915
_cell_length_b 7.529579
_cell_length_c 9.902182270000003
_cell_angle_alpha 66.5660246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mn6Zn2P8O28
_chemical_formula_sum "Mn6 Zn2 P8 O28"
_cell_length_a 7.541915
_cell_length_b 7.529579
_cell_length_c 9.902182270000003
_cell_angle_alpha 66.5660246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveAroundAtomAction | 1ebd47e4-75a2-4eba-9e43-adca6cde6132 | mp-1233729 | Move all surrounding atoms within 2.852 angstrom around the center atom at index 21 by [ 0.797 3.223 -1.067] angstrom in the cif file. | data_image0
_chemical_formula_structural MgZn4Co6O16
_chemical_formula_sum "Mg1 Zn4 Co6 O16"
_cell_length_a 5.77630383
_cell_length_b 5.89151648
_cell_length_c 9.98240859
_cell_angle_alpha 87.77596076
_cell_angle_beta 91.08734965
_cell_angle_gamma 119.54466654
_space_grou... | data_image0
_chemical_formula_structural MgZn4Co6O16
_chemical_formula_sum "Mg1 Zn4 Co6 O16"
_cell_length_a 5.77630383
_cell_length_b 5.89151648
_cell_length_c 9.98240859
_cell_angle_alpha 87.77596076
_cell_angle_beta 91.08734965
_cell_angle_gamma 119.54466654
_space_grou... |
MoveAroundAtomAction | 59c392c1-8f23-42b0-a7db-8975c8f07645 | mp-26956 | Move all surrounding atoms within 3.049 angstrom around the center atom at index 53 by [-4.093 -1.261 -1.379] angstrom in the cif file. | data_image0
_chemical_formula_structural V4P16O48
_chemical_formula_sum "V4 P16 O48"
_cell_length_a 8.410582
_cell_length_b 9.194688
_cell_length_c 12.866543
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural V4P16O48
_chemical_formula_sum "V4 P16 O48"
_cell_length_a 8.410582
_cell_length_b 9.194688
_cell_length_c 12.866543
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... |
MoveAroundAtomAction | 9a9ec00d-650c-477c-956c-600fde8fcd40 | mp-627591 | Move all surrounding atoms within 3.328 angstrom around the center atom at index 7 by [-0.212 -3.014 2.614] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe8Si4S16
_chemical_formula_sum "Fe8 Si4 S16"
_cell_length_a 5.808157
_cell_length_b 7.026927
_cell_length_c 12.166527
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural Fe8Si4S16
_chemical_formula_sum "Fe8 Si4 S16"
_cell_length_a 5.808157
_cell_length_b 7.026927
_cell_length_c 12.166527
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... |
MoveAroundAtomAction | 617a2cc7-f625-4093-a622-0ed807bf20de | mp-1190970 | Move all surrounding atoms within 2.257 angstrom around the center atom at index 14 by [-1.319 0.37 -3.478] angstrom in the cif file. | data_image0
_chemical_formula_structural Dy6Re2B14
_chemical_formula_sum "Dy6 Re2 B14"
_cell_length_a 8.09792605
_cell_length_b 8.09792605
_cell_length_c 9.363645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 154.74998492
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Dy6Re2B14
_chemical_formula_sum "Dy6 Re2 B14"
_cell_length_a 8.09792605
_cell_length_b 8.09792605
_cell_length_c 9.363645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 154.74998492
_space_group_name_H-M_alt "P 1... |
MoveAroundAtomAction | feef8d57-0942-4036-b1aa-e91f78e16cfa | mp-2196 | Move all surrounding atoms within 3.946 angstrom around the center atom at index 9 by [-3.06 2.493 -1.255] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba6Sb12
_chemical_formula_sum "Ba6 Sb12"
_cell_length_a 4.4286625
_cell_length_b 11.92156711
_cell_length_c 12.693525489999999
_cell_angle_alpha 101.41346017
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba6Sb12
_chemical_formula_sum "Ba6 Sb12"
_cell_length_a 4.4286625
_cell_length_b 11.92156711
_cell_length_c 12.693525489999999
_cell_angle_alpha 101.41346017
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | 98b31043-b7e1-4ab5-9930-80713552f763 | mp-1247503 | Move all surrounding atoms within 2.286 angstrom around the center atom at index 8 by [-1.444 -0.965 -2.368] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn4Cu2N4
_chemical_formula_sum "Mn4 Cu2 N4"
_cell_length_a 2.852414
_cell_length_b 2.850546
_cell_length_c 12.150266
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural Mn4Cu2N4
_chemical_formula_sum "Mn4 Cu2 N4"
_cell_length_a 2.852414
_cell_length_b 2.850546
_cell_length_c 12.150266
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... |
MoveAroundAtomAction | 1b7e3f0c-4c53-4593-9a7f-53e34acbffb6 | mp-759335 | Move all surrounding atoms within 3.534 angstrom around the center atom at index 13 by [-0.719 0.302 -1.643] angstrom in the cif file. | data_image0
_chemical_formula_structural Li10V6P16O58
_chemical_formula_sum "Li10 V6 P16 O58"
_cell_length_a 9.790742
_cell_length_b 9.80038608
_cell_length_c 14.10371707
_cell_angle_alpha 89.55844878
_cell_angle_beta 89.37286967
_cell_angle_gamma 60.21795085
_space_group... | data_image0
_chemical_formula_structural Li10V6P16O58
_chemical_formula_sum "Li10 V6 P16 O58"
_cell_length_a 9.790742
_cell_length_b 9.80038608
_cell_length_c 14.10371707
_cell_angle_alpha 89.55844878
_cell_angle_beta 89.37286967
_cell_angle_gamma 60.21795085
_space_group... |
MoveAroundAtomAction | 1bde43c1-7d66-408a-a892-6bdbbbaa2511 | mp-1207697 | Move all surrounding atoms within 2.943 angstrom around the center atom at index 3 by [-2.979 0.541 4.982] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr3CuF6
_chemical_formula_sum "Zr3 Cu1 F6"
_cell_length_a 5.91990173
_cell_length_b 5.46689964
_cell_length_c 14.99135978
_cell_angle_alpha 107.07052544
_cell_angle_beta 54.69426013
_cell_angle_gamma 122.7301337
_space_group_name_H... | data_image0
_chemical_formula_structural Zr3CuF6
_chemical_formula_sum "Zr3 Cu1 F6"
_cell_length_a 5.91990173
_cell_length_b 5.46689964
_cell_length_c 14.99135978
_cell_angle_alpha 107.07052544
_cell_angle_beta 54.69426013
_cell_angle_gamma 122.7301337
_space_group_name_H... |
MoveAroundAtomAction | 1017fab8-8447-4310-8052-8d529958ada1 | mp-754739 | Move all surrounding atoms within 1.62 angstrom around the center atom at index 10 by [ 1.159 -0.279 -3.078] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2Be6O8
_chemical_formula_sum "Ca2 Be6 O8"
_cell_length_a 4.57656117
_cell_length_b 4.57656117
_cell_length_c 8.786886
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998806
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Ca2Be6O8
_chemical_formula_sum "Ca2 Be6 O8"
_cell_length_a 4.57656117
_cell_length_b 4.57656117
_cell_length_c 8.786886
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998806
_space_group_name_H-M_alt "P 1"
... |
MoveAroundAtomAction | 7f5aeaaf-0c80-40ae-ae36-123a17ab742c | mp-13413 | Move all surrounding atoms within 3.128 angstrom around the center atom at index 7 by [-0.402 -1.715 6.135] angstrom in the cif file. | data_image0
_chemical_formula_structural Th4Cu20Sn4
_chemical_formula_sum "Th4 Cu20 Sn4"
_cell_length_a 5.05406776
_cell_length_b 8.30553472
_cell_length_c 10.56519443
_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 Th4Cu20Sn4
_chemical_formula_sum "Th4 Cu20 Sn4"
_cell_length_a 5.05406776
_cell_length_b 8.30553472
_cell_length_c 10.56519443
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveAroundAtomAction | 303aa183-7f73-4d55-8ae0-17659c0d8cc0 | mp-1099629 | Move all surrounding atoms within 2.836 angstrom around the center atom at index 36 by [ 0.602 5.261 -0.926] angstrom in the cif file. | data_image0
_chemical_formula_structural K2Na6V5Mo3O24
_chemical_formula_sum "K2 Na6 V5 Mo3 O24"
_cell_length_a 7.746854
_cell_length_b 7.74646
_cell_length_c 7.749562620000001
_cell_angle_alpha 89.96294417
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural K2Na6V5Mo3O24
_chemical_formula_sum "K2 Na6 V5 Mo3 O24"
_cell_length_a 7.746854
_cell_length_b 7.74646
_cell_length_c 7.749562620000001
_cell_angle_alpha 89.96294417
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
MoveAroundAtomAction | 4b55425c-7fba-452d-8ed3-8e4a5fc12443 | mp-1214497 | Move all surrounding atoms within 2.236 angstrom around the center atom at index 16 by [-0.207 1.083 0.118] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba10P6O24F2
_chemical_formula_sum "Ba10 P6 O24 F2"
_cell_length_a 10.36526542
_cell_length_b 10.36526542
_cell_length_c 7.792644
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999628
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba10P6O24F2
_chemical_formula_sum "Ba10 P6 O24 F2"
_cell_length_a 10.36526542
_cell_length_b 10.36526542
_cell_length_c 7.792644
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999628
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | 31341b73-b533-4a44-a1a4-7ad520e74ccd | mp-560602 | Move all surrounding atoms within 3.845 angstrom around the center atom at index 13 by [-0.107 0.959 0.519] angstrom in the cif file. | data_image0
_chemical_formula_structural O24
_chemical_formula_sum "O24"
_cell_length_a 6.65259782
_cell_length_b 6.76810209
_cell_length_c 7.45043691
_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_nu... | data_image0
_chemical_formula_structural O24
_chemical_formula_sum "O24"
_cell_length_a 6.65259782
_cell_length_b 6.76810209
_cell_length_c 7.45043691
_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_nu... |
MoveAroundAtomAction | 6f4792cf-beae-4e99-8c5c-4b05d5b84f03 | mp-1103985 | Move all surrounding atoms within 3.259 angstrom around the center atom at index 2 by [ 3.532 -1.774 0.78 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd9Pt6
_chemical_formula_sum "Nd9 Pt6"
_cell_length_a 7.70172695
_cell_length_b 7.701915030000001
_cell_length_c 7.701846680000001
_cell_angle_alpha 71.39027492
_cell_angle_beta 71.38926960999999
_cell_angle_gamma 71.38940419999999
... | data_image0
_chemical_formula_structural Nd9Pt6
_chemical_formula_sum "Nd9 Pt6"
_cell_length_a 7.70172695
_cell_length_b 7.701915030000001
_cell_length_c 7.701846680000001
_cell_angle_alpha 71.39027492
_cell_angle_beta 71.38926960999999
_cell_angle_gamma 71.38940419999999
... |
MoveAroundAtomAction | a751404a-65c9-40f2-8cbc-7c9e7eea5a01 | mp-1215754 | Move all surrounding atoms within 3.958 angstrom around the center atom at index 8 by [ 0.686 -1.534 2.486] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr4Ti6Si6
_chemical_formula_sum "Zr4 Ti6 Si6"
_cell_length_a 5.466895
_cell_length_b 7.71310896
_cell_length_c 7.715738230000001
_cell_angle_alpha 119.98872028999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Zr4Ti6Si6
_chemical_formula_sum "Zr4 Ti6 Si6"
_cell_length_a 5.466895
_cell_length_b 7.71310896
_cell_length_c 7.715738230000001
_cell_angle_alpha 119.98872028999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
MoveAroundAtomAction | 18218b04-187d-4dba-9580-ae5fe5fe801d | mp-1096432 | Move all surrounding atoms within 3.215 angstrom around the center atom at index 48 by [ 1.292 -4.289 0.127] angstrom in the cif file. | data_image0
_chemical_formula_structural Ce24Se48
_chemical_formula_sum "Ce24 Se48"
_cell_length_a 16.69883571
_cell_length_b 16.69883571
_cell_length_c 16.69883571
_cell_angle_alpha 109.47122039
_cell_angle_beta 109.47122076
_cell_angle_gamma 109.47122076
_space_group_na... | data_image0
_chemical_formula_structural Ce24Se48
_chemical_formula_sum "Ce24 Se48"
_cell_length_a 16.69883571
_cell_length_b 16.69883571
_cell_length_c 16.69883571
_cell_angle_alpha 109.47122039
_cell_angle_beta 109.47122076
_cell_angle_gamma 109.47122076
_space_group_na... |
MoveAroundAtomAction | 09eb0e00-4908-491f-9a9b-72139b2f6be4 | mp-1098369 | Move all surrounding atoms within 3.938 angstrom around the center atom at index 6 by [ 1.85 0.685 -2.143] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg30TiCrO32
_chemical_formula_sum "Mg30 Ti1 Cr1 O32"
_cell_length_a 8.596304
_cell_length_b 8.514833
_cell_length_c 8.514833
_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 Mg30TiCrO32
_chemical_formula_sum "Mg30 Ti1 Cr1 O32"
_cell_length_a 8.596304
_cell_length_b 8.514833
_cell_length_c 8.514833
_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 | a325239d-3c7f-477e-93de-bb92953c2dc6 | mp-2229629 | Move all surrounding atoms within 3.064 angstrom around the center atom at index 6 by [-1.327 -0.112 1.09 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2MgNb2Cu4S8
_chemical_formula_sum "Na2 Mg1 Nb2 Cu4 S8"
_cell_length_a 5.68901859
_cell_length_b 7.71768654
_cell_length_c 9.74954143
_cell_angle_alpha 90.59259283
_cell_angle_beta 106.96324873
_cell_angle_gamma 90.00000094
_space... | data_image0
_chemical_formula_structural Na2MgNb2Cu4S8
_chemical_formula_sum "Na2 Mg1 Nb2 Cu4 S8"
_cell_length_a 5.68901859
_cell_length_b 7.71768654
_cell_length_c 9.74954143
_cell_angle_alpha 90.59259283
_cell_angle_beta 106.96324873
_cell_angle_gamma 90.00000094
_space... |
MoveAroundAtomAction | 73ec6dc1-c16d-45d7-83ee-7829f08c06cb | mp-652326 | Move all surrounding atoms within 1.553 angstrom around the center atom at index 15 by [ 0.676 1.718 -2.977] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe6C18S4O18
_chemical_formula_sum "Fe6 C18 S4 O18"
_cell_length_a 6.886245
_cell_length_b 9.21092479
_cell_length_c 13.18122565
_cell_angle_alpha 93.98866673999999
_cell_angle_beta 94.12941676
_cell_angle_gamma 111.17747912
_space_... | data_image0
_chemical_formula_structural Fe6C18S4O18
_chemical_formula_sum "Fe6 C18 S4 O18"
_cell_length_a 6.886245
_cell_length_b 9.21092479
_cell_length_c 13.18122565
_cell_angle_alpha 93.98866673999999
_cell_angle_beta 94.12941676
_cell_angle_gamma 111.17747912
_space_... |
MoveAroundAtomAction | baf64a90-4d6d-4d49-ba6e-174e66f443eb | mp-1520090 | Move all surrounding atoms within 3.876 angstrom around the center atom at index 2 by [-1.068 0.084 -0.105] angstrom in the cif file. | data_image0
_chemical_formula_structural LiLaFe4O12
_chemical_formula_sum "Li1 La1 Fe4 O12"
_cell_length_a 5.25865836
_cell_length_b 5.25865836
_cell_length_c 7.74007929
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 91.18608768000001
_space_group_name_H-M... | data_image0
_chemical_formula_structural LiLaFe4O12
_chemical_formula_sum "Li1 La1 Fe4 O12"
_cell_length_a 5.25865836
_cell_length_b 5.25865836
_cell_length_c 7.74007929
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 91.18608768000001
_space_group_name_H-M... |
MoveAroundAtomAction | c721fdc9-6aab-4ffa-85e3-b97ab191b520 | mp-760196 | Move all surrounding atoms within 3.022 angstrom around the center atom at index 18 by [-1.13 1.283 1.273] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr8O8F32
_chemical_formula_sum "Cr8 O8 F32"
_cell_length_a 16.88848
_cell_length_b 5.548289
_cell_length_c 8.06305272
_cell_angle_alpha 89.13883818
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Cr8O8F32
_chemical_formula_sum "Cr8 O8 F32"
_cell_length_a 16.88848
_cell_length_b 5.548289
_cell_length_c 8.06305272
_cell_angle_alpha 89.13883818
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveAroundAtomAction | aacf5288-726a-4ea1-9ba2-6439e51bbf3d | mp-768946 | Move all surrounding atoms within 3.882 angstrom around the center atom at index 22 by [0.331 1.116 0.677] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Cr6Co2O16
_chemical_formula_sum "Li8 Cr6 Co2 O16"
_cell_length_a 5.08422505
_cell_length_b 10.24775626
_cell_length_c 5.87238314
_cell_angle_alpha 73.37294484
_cell_angle_beta 90.01373118
_cell_angle_gamma 80.49168511
_space_gro... | data_image0
_chemical_formula_structural Li8Cr6Co2O16
_chemical_formula_sum "Li8 Cr6 Co2 O16"
_cell_length_a 5.08422505
_cell_length_b 10.24775626
_cell_length_c 5.87238314
_cell_angle_alpha 73.37294484
_cell_angle_beta 90.01373118
_cell_angle_gamma 80.49168511
_space_gro... |
MoveAroundAtomAction | 5f3af143-75b1-4534-a554-f64dcc3f8fb5 | mp-558325 | Move all surrounding atoms within 2.188 angstrom around the center atom at index 16 by [-0.442 -1.325 1.056] angstrom in the cif file. | data_image0
_chemical_formula_structural K2YNb5O15
_chemical_formula_sum "K2 Y1 Nb5 O15"
_cell_length_a 9.35185659
_cell_length_b 9.351856590000002
_cell_length_c 3.975101
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 111.88706881
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural K2YNb5O15
_chemical_formula_sum "K2 Y1 Nb5 O15"
_cell_length_a 9.35185659
_cell_length_b 9.351856590000002
_cell_length_c 3.975101
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 111.88706881
_space_group_name_H-M_al... |
MoveAroundAtomAction | be2e0d42-7d60-4bb7-910e-15f582545726 | mp-1029063 | Move all surrounding atoms within 2.614 angstrom around the center atom at index 9 by [-2.03 -0.629 -0.068] angstrom in the cif file. | data_image0
_chemical_formula_structural Te2Mo2W2Se2S4
_chemical_formula_sum "Te2 Mo2 W2 Se2 S4"
_cell_length_a 3.30870784
_cell_length_b 3.3087078400000003
_cell_length_c 37.645413
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999685
_space_group_n... | data_image0
_chemical_formula_structural Te2Mo2W2Se2S4
_chemical_formula_sum "Te2 Mo2 W2 Se2 S4"
_cell_length_a 3.30870784
_cell_length_b 3.3087078400000003
_cell_length_c 37.645413
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999685
_space_group_n... |
MoveAroundAtomAction | 9dfc6420-5e57-44cc-9fde-86b38da3e479 | mp-22850 | Move all surrounding atoms within 3.214 angstrom around the center atom at index 5 by [ 1.854 -3.516 4.447] angstrom in the cif file. | data_image0
_chemical_formula_structural Ru4Cl12
_chemical_formula_sum "Ru4 Cl12"
_cell_length_a 5.67615011
_cell_length_b 6.23663128
_cell_length_c 10.767188719999998
_cell_angle_alpha 89.99988935
_cell_angle_beta 89.99997873999999
_cell_angle_gamma 90.16930695
_space_gr... | data_image0
_chemical_formula_structural Ru4Cl12
_chemical_formula_sum "Ru4 Cl12"
_cell_length_a 5.67615011
_cell_length_b 6.23663128
_cell_length_c 10.767188719999998
_cell_angle_alpha 89.99988935
_cell_angle_beta 89.99997873999999
_cell_angle_gamma 90.16930695
_space_gr... |
MoveAroundAtomAction | 9ad64aeb-1a0d-4255-b2e5-e6b5e7424b6f | mp-674343 | Move all surrounding atoms within 3.651 angstrom around the center atom at index 20 by [-1.295 -1.343 -0.502] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti10Cu7S20
_chemical_formula_sum "Ti10 Cu7 S20"
_cell_length_a 6.66552105
_cell_length_b 6.66552105
_cell_length_c 29.648604719999998
_cell_angle_alpha 81.87447903999998
_cell_angle_beta 81.87447903999998
_cell_angle_gamma 29.905861... | data_image0
_chemical_formula_structural Ti10Cu7S20
_chemical_formula_sum "Ti10 Cu7 S20"
_cell_length_a 6.66552105
_cell_length_b 6.66552105
_cell_length_c 29.648604719999998
_cell_angle_alpha 81.87447903999998
_cell_angle_beta 81.87447903999998
_cell_angle_gamma 29.905861... |
MoveAroundAtomAction | 60089708-ecf3-4b22-8a28-86d107c7b116 | mp-1112428 | Move all surrounding atoms within 2.971 angstrom around the center atom at index 8 by [-0.576 0.811 2.825] angstrom in the cif file. | data_image0
_chemical_formula_structural K2EuAuCl6
_chemical_formula_sum "K2 Eu1 Au1 Cl6"
_cell_length_a 7.631531
_cell_length_b 7.6315315
_cell_length_c 7.6315312099999995
_cell_angle_alpha 59.999999790000004
_cell_angle_beta 59.99999656
_cell_angle_gamma 59.99999782
_sp... | data_image0
_chemical_formula_structural K2EuAuCl6
_chemical_formula_sum "K2 Eu1 Au1 Cl6"
_cell_length_a 7.631531
_cell_length_b 7.6315315
_cell_length_c 7.6315312099999995
_cell_angle_alpha 59.999999790000004
_cell_angle_beta 59.99999656
_cell_angle_gamma 59.99999782
_sp... |
MoveAroundAtomAction | 4bfa32a3-02ff-4a52-8bf1-5541ec3eb5c3 | mp-752482 | Move all surrounding atoms within 2.462 angstrom around the center atom at index 6 by [-5.872 0.176 2.949] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2V6F20
_chemical_formula_sum "Li2 V6 F20"
_cell_length_a 6.564161
_cell_length_b 7.45816
_cell_length_c 7.88365
_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 Li2V6F20
_chemical_formula_sum "Li2 V6 F20"
_cell_length_a 6.564161
_cell_length_b 7.45816
_cell_length_c 7.88365
_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 | af8789ba-a2f9-47bb-8837-4719a2205c32 | mp-1227253 | Move all surrounding atoms within 2.208 angstrom around the center atom at index 34 by [-0.278 3.295 0.46 ] angstrom in the cif file. | data_image0
_chemical_formula_structural CaU3Ti8O24
_chemical_formula_sum "Ca1 U3 Ti8 O24"
_cell_length_a 7.50474
_cell_length_b 7.85782394
_cell_length_c 8.45750307
_cell_angle_alpha 98.93237861
_cell_angle_beta 111.53004347
_cell_angle_gamma 94.83442283
_space_group_nam... | data_image0
_chemical_formula_structural CaU3Ti8O24
_chemical_formula_sum "Ca1 U3 Ti8 O24"
_cell_length_a 7.50474
_cell_length_b 7.85782394
_cell_length_c 8.45750307
_cell_angle_alpha 98.93237861
_cell_angle_beta 111.53004347
_cell_angle_gamma 94.83442283
_space_group_nam... |
MoveAroundAtomAction | da62c90c-b765-42d6-ae92-e796926eb843 | mp-1523147 | Move all surrounding atoms within 2.68 angstrom around the center atom at index 5 by [0.991 1.767 3.016] angstrom in the cif file. | data_image0
_chemical_formula_structural SrNdMgWO6
_chemical_formula_sum "Sr1 Nd1 Mg1 W1 O6"
_cell_length_a 5.64963695
_cell_length_b 5.64963695
_cell_length_c 5.64963695
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... | data_image0
_chemical_formula_structural SrNdMgWO6
_chemical_formula_sum "Sr1 Nd1 Mg1 W1 O6"
_cell_length_a 5.64963695
_cell_length_b 5.64963695
_cell_length_c 5.64963695
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... |
MoveAroundAtomAction | 58f21ee4-514e-4772-8e52-3a603e1398f7 | mp-755164 | Move all surrounding atoms within 1.968 angstrom around the center atom at index 14 by [0.099 2.018 0.978] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn6O11F
_chemical_formula_sum "Mn6 O11 F1"
_cell_length_a 4.51288657
_cell_length_b 4.51288657
_cell_length_c 8.974585
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.80731326
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Mn6O11F
_chemical_formula_sum "Mn6 O11 F1"
_cell_length_a 4.51288657
_cell_length_b 4.51288657
_cell_length_c 8.974585
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.80731326
_space_group_name_H-M_alt "P 1"
_s... |
MoveAroundAtomAction | 481f2f62-0f9f-414a-9c82-5e415b29644b | mp-754147 | Move all surrounding atoms within 3.284 angstrom around the center atom at index 3 by [-0.632 0.874 0.944] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Ti2Co4O10
_chemical_formula_sum "Li4 Ti2 Co4 O10"
_cell_length_a 5.234374
_cell_length_b 5.25686923
_cell_length_c 7.757459950000001
_cell_angle_alpha 82.4242968
_cell_angle_beta 70.53341686
_cell_angle_gamma 67.69116933
_space_... | data_image0
_chemical_formula_structural Li4Ti2Co4O10
_chemical_formula_sum "Li4 Ti2 Co4 O10"
_cell_length_a 5.234374
_cell_length_b 5.25686923
_cell_length_c 7.757459950000001
_cell_angle_alpha 82.4242968
_cell_angle_beta 70.53341686
_cell_angle_gamma 67.69116933
_space_... |
MoveAroundAtomAction | 3d199a63-ca01-400a-b431-319015ec5d86 | mp-1324601 | Move all surrounding atoms within 2.915 angstrom around the center atom at index 68 by [ 1.118 -1.31 1.245] angstrom in the cif file. | data_image0
_chemical_formula_structural Zn12Si12Ag8O48
_chemical_formula_sum "Zn12 Si12 Ag8 O48"
_cell_length_a 10.43844495
_cell_length_b 10.43844495
_cell_length_c 10.43844495
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_... | data_image0
_chemical_formula_structural Zn12Si12Ag8O48
_chemical_formula_sum "Zn12 Si12 Ag8 O48"
_cell_length_a 10.43844495
_cell_length_b 10.43844495
_cell_length_c 10.43844495
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_... |
MoveAroundAtomAction | b0786579-da60-49f8-8951-fbd063aade76 | mp-1174913 | Move all surrounding atoms within 3.825 angstrom around the center atom at index 9 by [-2.52 0.146 -1.989] angstrom in the cif file. | data_image0
_chemical_formula_structural Li7Mn2Co3O12
_chemical_formula_sum "Li7 Mn2 Co3 O12"
_cell_length_a 3.002881
_cell_length_b 5.00158641
_cell_length_c 14.49906578
_cell_angle_alpha 87.66424674
_cell_angle_beta 87.62843672
_cell_angle_gamma 86.936342
_space_group_n... | data_image0
_chemical_formula_structural Li7Mn2Co3O12
_chemical_formula_sum "Li7 Mn2 Co3 O12"
_cell_length_a 3.002881
_cell_length_b 5.00158641
_cell_length_c 14.49906578
_cell_angle_alpha 87.66424674
_cell_angle_beta 87.62843672
_cell_angle_gamma 86.936342
_space_group_n... |
MoveAroundAtomAction | 331bcc00-5d8d-4b33-917c-1ee29dc2cdb8 | mp-18753 | Move all surrounding atoms within 2.946 angstrom around the center atom at index 7 by [-0.464 -0.097 -0.892] angstrom in the cif file. | data_image0
_chemical_formula_structural Na3MoO3F3
_chemical_formula_sum "Na3 Mo1 O3 F3"
_cell_length_a 5.80614613
_cell_length_b 5.80614595
_cell_length_c 5.80614606
_cell_angle_alpha 57.29251827000001
_cell_angle_beta 57.29251842000001
_cell_angle_gamma 57.2925149
_spac... | data_image0
_chemical_formula_structural Na3MoO3F3
_chemical_formula_sum "Na3 Mo1 O3 F3"
_cell_length_a 5.80614613
_cell_length_b 5.80614595
_cell_length_c 5.80614606
_cell_angle_alpha 57.29251827000001
_cell_angle_beta 57.29251842000001
_cell_angle_gamma 57.2925149
_spac... |
MoveAroundAtomAction | 07912011-830d-4b10-83b3-7fcb94234d29 | mp-2217709 | Move all surrounding atoms within 2.331 angstrom around the center atom at index 0 by [ 0.315 -1.481 -0.163] angstrom in the cif file. | data_image0
_chemical_formula_structural MgTiZnBi2O6
_chemical_formula_sum "Mg1 Ti1 Zn1 Bi2 O6"
_cell_length_a 5.58067916
_cell_length_b 5.58067916
_cell_length_c 6.72851355
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 109.16416929
_space_group_name_H-M_... | data_image0
_chemical_formula_structural MgTiZnBi2O6
_chemical_formula_sum "Mg1 Ti1 Zn1 Bi2 O6"
_cell_length_a 5.58067916
_cell_length_b 5.58067916
_cell_length_c 6.72851355
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 109.16416929
_space_group_name_H-M_... |
MoveAroundAtomAction | 1acf0b09-263d-4928-ab2f-e74bbc09454a | mp-1233110 | Move all surrounding atoms within 3.296 angstrom around the center atom at index 18 by [0.412 2.377 0.119] angstrom in the cif file. | data_image0
_chemical_formula_structural MgMn9CdO10
_chemical_formula_sum "Mg1 Mn9 Cd1 O10"
_cell_length_a 5.80873043
_cell_length_b 8.968757620000002
_cell_length_c 5.983389520000001
_cell_angle_alpha 70.53888601
_cell_angle_beta 112.17279914
_cell_angle_gamma 97.07694034... | data_image0
_chemical_formula_structural MgMn9CdO10
_chemical_formula_sum "Mg1 Mn9 Cd1 O10"
_cell_length_a 5.80873043
_cell_length_b 8.968757620000002
_cell_length_c 5.983389520000001
_cell_angle_alpha 70.53888601
_cell_angle_beta 112.17279914
_cell_angle_gamma 97.07694034... |
MoveAroundAtomAction | 0c564131-1223-42c3-bf7f-aa766c500331 | mp-757037 | Move all surrounding atoms within 2.304 angstrom around the center atom at index 25 by [ 3.441 1.107 -1.955] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Fe2Si6O16
_chemical_formula_sum "Li2 Fe2 Si6 O16"
_cell_length_a 7.69853798
_cell_length_b 7.6999349
_cell_length_c 7.11054289
_cell_angle_alpha 83.24422392999999
_cell_angle_beta 109.30920088
_cell_angle_gamma 62.324731889999995... | data_image0
_chemical_formula_structural Li2Fe2Si6O16
_chemical_formula_sum "Li2 Fe2 Si6 O16"
_cell_length_a 7.69853798
_cell_length_b 7.6999349
_cell_length_c 7.11054289
_cell_angle_alpha 83.24422392999999
_cell_angle_beta 109.30920088
_cell_angle_gamma 62.324731889999995... |
MoveAroundAtomAction | d85de535-b6c9-4da3-adfe-b917875f8289 | mp-768442 | Move all surrounding atoms within 2.798 angstrom around the center atom at index 0 by [-0.921 -1.045 1.903] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn4B8O20
_chemical_formula_sum "Li4 Mn4 B8 O20"
_cell_length_a 9.305121
_cell_length_b 6.053043
_cell_length_c 6.89281067
_cell_angle_alpha 75.55919999000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Li4Mn4B8O20
_chemical_formula_sum "Li4 Mn4 B8 O20"
_cell_length_a 9.305121
_cell_length_b 6.053043
_cell_length_c 6.89281067
_cell_angle_alpha 75.55919999000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveAroundAtomAction | 21708633-7af8-4888-889d-940526ba8d9f | mp-1310084 | Move all surrounding atoms within 2.017 angstrom around the center atom at index 2 by [-1.966 2.932 -0.21 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Co4O2F6
_chemical_formula_sum "Co4 O2 F6"
_cell_length_a 4.71264131
_cell_length_b 4.71287246
_cell_length_c 6.20358889
_cell_angle_alpha 90.83207726
_cell_angle_beta 90.83016418000001
_cell_angle_gamma 93.22177824999999
_space_gro... | data_image0
_chemical_formula_structural Co4O2F6
_chemical_formula_sum "Co4 O2 F6"
_cell_length_a 4.71264131
_cell_length_b 4.71287246
_cell_length_c 6.20358889
_cell_angle_alpha 90.83207726
_cell_angle_beta 90.83016418000001
_cell_angle_gamma 93.22177824999999
_space_gro... |
MoveAroundAtomAction | 71cd4a16-2458-4233-84c6-5027bebde155 | mp-1208575 | Move all surrounding atoms within 3.692 angstrom around the center atom at index 0 by [4.43 2.41 0.117] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb2Cl6O24
_chemical_formula_sum "Tb2 Cl6 O24"
_cell_length_a 9.40842427
_cell_length_b 9.40841325
_cell_length_c 5.5784382
_cell_angle_alpha 89.99994258999999
_cell_angle_beta 90.00005791
_cell_angle_gamma 120.00012651000002
_space... | data_image0
_chemical_formula_structural Tb2Cl6O24
_chemical_formula_sum "Tb2 Cl6 O24"
_cell_length_a 9.40842427
_cell_length_b 9.40841325
_cell_length_c 5.5784382
_cell_angle_alpha 89.99994258999999
_cell_angle_beta 90.00005791
_cell_angle_gamma 120.00012651000002
_space... |
MoveAroundAtomAction | 5e2a74a2-9831-470e-9f2b-f77c20f9ef18 | mp-554501 | Move all surrounding atoms within 3.541 angstrom around the center atom at index 36 by [-0.361 1.908 2.517] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba10Os6Cl2O30
_chemical_formula_sum "Ba10 Os6 Cl2 O30"
_cell_length_a 11.11547635
_cell_length_b 11.11547635
_cell_length_c 7.974835
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000211
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ba10Os6Cl2O30
_chemical_formula_sum "Ba10 Os6 Cl2 O30"
_cell_length_a 11.11547635
_cell_length_b 11.11547635
_cell_length_c 7.974835
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000211
_space_group_name_H-M_... |
MoveAroundAtomAction | 92bf952b-aa36-46b3-b361-a830ad2d7466 | mp-647450 | Move all surrounding atoms within 3.789 angstrom around the center atom at index 48 by [-2.586 1.206 2.01 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Ca8Ti4Si8O32F4
_chemical_formula_sum "Na4 Ca8 Ti4 Si8 O32 F4"
_cell_length_a 5.804294
_cell_length_b 7.60714591
_cell_length_c 19.27502629
_cell_angle_alpha 101.30828057000001
_cell_angle_beta 90.28643214
_cell_angle_gamma 89.971... | data_image0
_chemical_formula_structural Na4Ca8Ti4Si8O32F4
_chemical_formula_sum "Na4 Ca8 Ti4 Si8 O32 F4"
_cell_length_a 5.804294
_cell_length_b 7.60714591
_cell_length_c 19.27502629
_cell_angle_alpha 101.30828057000001
_cell_angle_beta 90.28643214
_cell_angle_gamma 89.971... |
MoveAroundAtomAction | f4a1d0f5-88ca-4ad9-8726-89868e2635db | mp-1078304 | Move all surrounding atoms within 2.77 angstrom around the center atom at index 9 by [ 1.324 -0.196 0.224] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Al2Pd4
_chemical_formula_sum "Ca4 Al2 Pd4"
_cell_length_a 5.7552724
_cell_length_b 5.7552724
_cell_length_c 7.739874039999999
_cell_angle_alpha 79.29396929
_cell_angle_beta 79.29396929
_cell_angle_gamma 60.17454648000001
_space_... | data_image0
_chemical_formula_structural Ca4Al2Pd4
_chemical_formula_sum "Ca4 Al2 Pd4"
_cell_length_a 5.7552724
_cell_length_b 5.7552724
_cell_length_c 7.739874039999999
_cell_angle_alpha 79.29396929
_cell_angle_beta 79.29396929
_cell_angle_gamma 60.17454648000001
_space_... |
MoveAroundAtomAction | b2313a5b-d7f3-493d-a5ee-6f74fa77a064 | mp-1101787 | Move all surrounding atoms within 3.667 angstrom around the center atom at index 4 by [-4.16 0.819 -0.7 ] angstrom in the cif file. | data_image0
_chemical_formula_structural La2Si10
_chemical_formula_sum "La2 Si10"
_cell_length_a 7.8028555
_cell_length_b 7.8028555
_cell_length_c 8.434587650000001
_cell_angle_alpha 72.19401657999998
_cell_angle_beta 72.19401657999998
_cell_angle_gamma 29.62230927999999
... | data_image0
_chemical_formula_structural La2Si10
_chemical_formula_sum "La2 Si10"
_cell_length_a 7.8028555
_cell_length_b 7.8028555
_cell_length_c 8.434587650000001
_cell_angle_alpha 72.19401657999998
_cell_angle_beta 72.19401657999998
_cell_angle_gamma 29.62230927999999
... |
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