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 | 53244da7-b352-4940-a0a8-86045f53a7fa | mp-1189409 | Move all surrounding atoms within 2.86 angstrom around the center atom at index 5 by [-4.158 3.733 -4.636] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb10Si6B2
_chemical_formula_sum "Tb10 Si6 B2"
_cell_length_a 8.59632043
_cell_length_b 8.59632043
_cell_length_c 6.377204
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000334
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Tb10Si6B2
_chemical_formula_sum "Tb10 Si6 B2"
_cell_length_a 8.59632043
_cell_length_b 8.59632043
_cell_length_c 6.377204
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000334
_space_group_name_H-M_alt "P 1... |
MoveAroundAtomAction | 831d9f5d-a2bf-4cae-931b-35d2e5b28f82 | mp-1207606 | Move all surrounding atoms within 1.683 angstrom around the center atom at index 17 by [1.6 0.649 1.806] angstrom in the cif file. | data_image0
_chemical_formula_structural YFe3B4O12
_chemical_formula_sum "Y1 Fe3 B4 O12"
_cell_length_a 6.12433214
_cell_length_b 6.124332140000001
_cell_length_c 6.12433292
_cell_angle_alpha 103.91920561999999
_cell_angle_beta 103.91920562
_cell_angle_gamma 103.91920774
... | data_image0
_chemical_formula_structural YFe3B4O12
_chemical_formula_sum "Y1 Fe3 B4 O12"
_cell_length_a 6.12433214
_cell_length_b 6.124332140000001
_cell_length_c 6.12433292
_cell_angle_alpha 103.91920561999999
_cell_angle_beta 103.91920562
_cell_angle_gamma 103.91920774
... |
MoveAroundAtomAction | 28091eb5-70e6-4e00-97af-8eb1bfbced75 | mp-2228450 | Move all surrounding atoms within 2.119 angstrom around the center atom at index 6 by [-5.172 1.787 -1.124] angstrom in the cif file. | data_image0
_chemical_formula_structural MgMn3Cd2O8
_chemical_formula_sum "Mg1 Mn3 Cd2 O8"
_cell_length_a 5.33675026
_cell_length_b 6.23243229
_cell_length_c 5.85035914
_cell_angle_alpha 108.86450955000001
_cell_angle_beta 116.33163397
_cell_angle_gamma 89.52435890000001
... | data_image0
_chemical_formula_structural MgMn3Cd2O8
_chemical_formula_sum "Mg1 Mn3 Cd2 O8"
_cell_length_a 5.33675026
_cell_length_b 6.23243229
_cell_length_c 5.85035914
_cell_angle_alpha 108.86450955000001
_cell_angle_beta 116.33163397
_cell_angle_gamma 89.52435890000001
... |
MoveAroundAtomAction | 60b00818-408b-4949-9d0c-00f900a92fae | mp-1193190 | Move all surrounding atoms within 2.09 angstrom around the center atom at index 15 by [-1.289 1.974 2.171] angstrom in the cif file. | data_image0
_chemical_formula_structural K4Cr6O18
_chemical_formula_sum "K4 Cr6 O18"
_cell_length_a 6.003451
_cell_length_b 8.22584406
_cell_length_c 9.46242053
_cell_angle_alpha 114.70555641999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4Cr6O18
_chemical_formula_sum "K4 Cr6 O18"
_cell_length_a 6.003451
_cell_length_b 8.22584406
_cell_length_c 9.46242053
_cell_angle_alpha 114.70555641999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | b289c7db-53e0-4ca9-af2e-73cbeae63fd1 | mp-1037796 | Move all surrounding atoms within 3.863 angstrom around the center atom at index 10 by [-1.317 1.264 0.591] angstrom in the cif file. | data_image0
_chemical_formula_structural CaMg30TiO32
_chemical_formula_sum "Ca1 Mg30 Ti1 O32"
_cell_length_a 8.583183
_cell_length_b 8.583183
_cell_length_c 8.578049
_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 CaMg30TiO32
_chemical_formula_sum "Ca1 Mg30 Ti1 O32"
_cell_length_a 8.583183
_cell_length_b 8.583183
_cell_length_c 8.578049
_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 | 281ad7f0-91cf-49a3-97c9-14bbe1b7887d | mp-1213522 | Move all surrounding atoms within 3.937 angstrom around the center atom at index 19 by [1.483 2.575 1.762] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs4Rb4Mo12P12O68
_chemical_formula_sum "Cs4 Rb4 Mo12 P12 O68"
_cell_length_a 9.711585
_cell_length_b 10.998928
_cell_length_c 16.02131593
_cell_angle_alpha 68.56286102
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Cs4Rb4Mo12P12O68
_chemical_formula_sum "Cs4 Rb4 Mo12 P12 O68"
_cell_length_a 9.711585
_cell_length_b 10.998928
_cell_length_c 16.02131593
_cell_angle_alpha 68.56286102
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
MoveAroundAtomAction | d2a4e279-0e7e-4cc7-85a1-08b9f202a76f | mp-25954 | Move all surrounding atoms within 3.604 angstrom around the center atom at index 28 by [ 0.337 -2.572 3.093] angstrom in the cif file. | data_image0
_chemical_formula_structural Co6P6O24
_chemical_formula_sum "Co6 P6 O24"
_cell_length_a 7.44144799
_cell_length_b 7.441447990000001
_cell_length_c 9.372664
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999993
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Co6P6O24
_chemical_formula_sum "Co6 P6 O24"
_cell_length_a 7.44144799
_cell_length_b 7.441447990000001
_cell_length_c 9.372664
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999993
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | 7e65c156-3693-4af6-8541-7a15beb9ae59 | mp-15203 | Move all surrounding atoms within 3.734 angstrom around the center atom at index 38 by [-2.819 1.649 3.373] angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Ca24W8N32O6
_chemical_formula_sum "Li12 Ca24 W8 N32 O6"
_cell_length_a 11.40762068
_cell_length_b 11.407620390000002
_cell_length_c 11.407621
_cell_angle_alpha 109.47121994000001
_cell_angle_beta 109.47121942999999
_cell_angle_gamm... | data_image0
_chemical_formula_structural Li12Ca24W8N32O6
_chemical_formula_sum "Li12 Ca24 W8 N32 O6"
_cell_length_a 11.40762068
_cell_length_b 11.407620390000002
_cell_length_c 11.407621
_cell_angle_alpha 109.47121994000001
_cell_angle_beta 109.47121942999999
_cell_angle_gamm... |
MoveAroundAtomAction | 0eb78a05-3943-47e9-9977-1394fba65646 | mp-1238897 | Move all surrounding atoms within 3.172 angstrom around the center atom at index 22 by [-0.121 1.102 4.315] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti4Cr4Ag4S16
_chemical_formula_sum "Ti4 Cr4 Ag4 S16"
_cell_length_a 6.475615
_cell_length_b 7.69109295
_cell_length_c 12.85135469
_cell_angle_alpha 98.47946294
_cell_angle_beta 95.52817443
_cell_angle_gamma 89.94978949999998
_space... | data_image0
_chemical_formula_structural Ti4Cr4Ag4S16
_chemical_formula_sum "Ti4 Cr4 Ag4 S16"
_cell_length_a 6.475615
_cell_length_b 7.69109295
_cell_length_c 12.85135469
_cell_angle_alpha 98.47946294
_cell_angle_beta 95.52817443
_cell_angle_gamma 89.94978949999998
_space... |
MoveAroundAtomAction | 0c52e155-783e-463f-9f3f-4bdefb19d09c | mp-1182197 | Move all surrounding atoms within 6.069 angstrom around the center atom at index 15 by [-3.825 -0.405 3.196] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd4Mn4O12
_chemical_formula_sum "Nd4 Mn4 O12"
_cell_length_a 14.392943
_cell_length_b 14.078227
_cell_length_c 19.90936595
_cell_angle_alpha 87.88079187
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Nd4Mn4O12
_chemical_formula_sum "Nd4 Mn4 O12"
_cell_length_a 14.392943
_cell_length_b 14.078227
_cell_length_c 19.90936595
_cell_angle_alpha 87.88079187
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveAroundAtomAction | a4da39e4-9c26-444a-a935-21541801b290 | mp-2240397 | Move all surrounding atoms within 2.452 angstrom around the center atom at index 7 by [-0.778 4.249 -1.805] angstrom in the cif file. | data_image0
_chemical_formula_structural MgCd2Bi2O6
_chemical_formula_sum "Mg1 Cd2 Bi2 O6"
_cell_length_a 5.56458951
_cell_length_b 7.0200275
_cell_length_c 5.771075549999999
_cell_angle_alpha 63.13246041999998
_cell_angle_beta 117.61251132
_cell_angle_gamma 114.96516471
... | data_image0
_chemical_formula_structural MgCd2Bi2O6
_chemical_formula_sum "Mg1 Cd2 Bi2 O6"
_cell_length_a 5.56458951
_cell_length_b 7.0200275
_cell_length_c 5.771075549999999
_cell_angle_alpha 63.13246041999998
_cell_angle_beta 117.61251132
_cell_angle_gamma 114.96516471
... |
MoveAroundAtomAction | 2f790f0a-1913-4e13-8a21-b647a9adfbdd | mp-38090 | Move all surrounding atoms within 2.731 angstrom around the center atom at index 7 by [-0.189 2.461 0.261] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe12Cu6O24
_chemical_formula_sum "Fe12 Cu6 O24"
_cell_length_a 6.05186412
_cell_length_b 6.05186412
_cell_length_c 14.709387490000001
_cell_angle_alpha 87.92009041
_cell_angle_beta 87.92009041
_cell_angle_gamma 59.09715076999999
_s... | data_image0
_chemical_formula_structural Fe12Cu6O24
_chemical_formula_sum "Fe12 Cu6 O24"
_cell_length_a 6.05186412
_cell_length_b 6.05186412
_cell_length_c 14.709387490000001
_cell_angle_alpha 87.92009041
_cell_angle_beta 87.92009041
_cell_angle_gamma 59.09715076999999
_s... |
MoveAroundAtomAction | 30afb81a-57d2-4c1d-b122-24657477cce2 | mp-758717 | Move all surrounding atoms within 1.819 angstrom around the center atom at index 26 by [-0.06 -2.214 2.758] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Co4C8O24
_chemical_formula_sum "Li2 Co4 C8 O24"
_cell_length_a 9.550868
_cell_length_b 7.455839
_cell_length_c 8.43336493
_cell_angle_alpha 70.41666927999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Li2Co4C8O24
_chemical_formula_sum "Li2 Co4 C8 O24"
_cell_length_a 9.550868
_cell_length_b 7.455839
_cell_length_c 8.43336493
_cell_angle_alpha 70.41666927999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveAroundAtomAction | 39759301-0a39-455a-b250-500fc38e9ec7 | mp-1227255 | Move all surrounding atoms within 2.934 angstrom around the center atom at index 9 by [-0.756 3.377 -1.458] angstrom in the cif file. | data_image0
_chemical_formula_structural CaCeV2O8
_chemical_formula_sum "Ca1 Ce1 V2 O8"
_cell_length_a 6.07941717
_cell_length_b 6.07941717
_cell_length_c 6.07941717
_cell_angle_alpha 106.24416571
_cell_angle_beta 106.24416571
_cell_angle_gamma 116.1381804
_space_group_na... | data_image0
_chemical_formula_structural CaCeV2O8
_chemical_formula_sum "Ca1 Ce1 V2 O8"
_cell_length_a 6.07941717
_cell_length_b 6.07941717
_cell_length_c 6.07941717
_cell_angle_alpha 106.24416571
_cell_angle_beta 106.24416571
_cell_angle_gamma 116.1381804
_space_group_na... |
MoveAroundAtomAction | eaddc1a1-0d55-489f-8b56-1305dea8cb7f | mp-8597 | Move all surrounding atoms within 2.289 angstrom around the center atom at index 19 by [-0.6 0.214 0.456] angstrom in the cif file. | data_image0
_chemical_formula_structural Sc8B16C8
_chemical_formula_sum "Sc8 B16 C8"
_cell_length_a 6.645555
_cell_length_b 6.645555
_cell_length_c 6.792191
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group... | data_image0
_chemical_formula_structural Sc8B16C8
_chemical_formula_sum "Sc8 B16 C8"
_cell_length_a 6.645555
_cell_length_b 6.645555
_cell_length_c 6.792191
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group... |
MoveAroundAtomAction | 60c74dec-de32-47b2-9df6-2de5e872d7c1 | mp-975336 | Move all surrounding atoms within 2.064 angstrom around the center atom at index 12 by [ 0.151 -1.198 -2.996] angstrom in the cif file. | data_image0
_chemical_formula_structural K4C4S4N4
_chemical_formula_sum "K4 C4 S4 N4"
_cell_length_a 6.479805
_cell_length_b 6.515581
_cell_length_c 11.139016
_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 K4C4S4N4
_chemical_formula_sum "K4 C4 S4 N4"
_cell_length_a 6.479805
_cell_length_b 6.515581
_cell_length_c 11.139016
_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 | 899bfe6a-576e-4b87-86d0-0ba38c149d6d | mp-1200515 | Move all surrounding atoms within 3.606 angstrom around the center atom at index 10 by [ 1.49 -3.063 0.223] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb20Si16
_chemical_formula_sum "Tb20 Si16"
_cell_length_a 7.48899009
_cell_length_b 7.70841404
_cell_length_c 14.64288919
_cell_angle_alpha 90.00000779999999
_cell_angle_beta 90.00552247
_cell_angle_gamma 89.99549034
_space_group_n... | data_image0
_chemical_formula_structural Tb20Si16
_chemical_formula_sum "Tb20 Si16"
_cell_length_a 7.48899009
_cell_length_b 7.70841404
_cell_length_c 14.64288919
_cell_angle_alpha 90.00000779999999
_cell_angle_beta 90.00552247
_cell_angle_gamma 89.99549034
_space_group_n... |
MoveAroundAtomAction | 0bf78066-e607-4a68-baec-efdcf59372f7 | mp-25278 | Move all surrounding atoms within 1.778 angstrom around the center atom at index 4 by [-1.431 -1.533 -1.644] angstrom in the cif file. | data_image0
_chemical_formula_structural V4S6O24
_chemical_formula_sum "V4 S6 O24"
_cell_length_a 7.71633737
_cell_length_b 7.71633737
_cell_length_c 8.66907844
_cell_angle_alpha 69.74449301
_cell_angle_beta 69.74449301
_cell_angle_gamma 64.83981922
_space_group_name_H-M_... | data_image0
_chemical_formula_structural V4S6O24
_chemical_formula_sum "V4 S6 O24"
_cell_length_a 7.71633737
_cell_length_b 7.71633737
_cell_length_c 8.66907844
_cell_angle_alpha 69.74449301
_cell_angle_beta 69.74449301
_cell_angle_gamma 64.83981922
_space_group_name_H-M_... |
MoveAroundAtomAction | b22a0d6d-db59-4164-b85d-70a1b66a18b0 | mp-1193266 | Move all surrounding atoms within 2.875 angstrom around the center atom at index 17 by [1.031 0.883 1.082] angstrom in the cif file. | data_image0
_chemical_formula_structural Al2H16C6N2Cl4
_chemical_formula_sum "Al2 H16 C6 N2 Cl4"
_cell_length_a 7.72663858
_cell_length_b 8.14007427
_cell_length_c 8.848356060000002
_cell_angle_alpha 90.03241481
_cell_angle_beta 64.76788259
_cell_angle_gamma 68.08843374
_... | data_image0
_chemical_formula_structural Al2H16C6N2Cl4
_chemical_formula_sum "Al2 H16 C6 N2 Cl4"
_cell_length_a 7.72663858
_cell_length_b 8.14007427
_cell_length_c 8.848356060000002
_cell_angle_alpha 90.03241481
_cell_angle_beta 64.76788259
_cell_angle_gamma 68.08843374
_... |
MoveAroundAtomAction | e38b7f43-3f81-45ac-a13e-56c391e57ff9 | mp-755587 | Move all surrounding atoms within 2.194 angstrom around the center atom at index 1 by [ 0.74 -2.768 -1.934] angstrom in the cif file. | data_image0
_chemical_formula_structural V4O6F2
_chemical_formula_sum "V4 O6 F2"
_cell_length_a 4.62679008
_cell_length_b 4.62679008
_cell_length_c 5.93686769
_cell_angle_alpha 89.99986978
_cell_angle_beta 90.00013022
_cell_angle_gamma 94.82482528
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural V4O6F2
_chemical_formula_sum "V4 O6 F2"
_cell_length_a 4.62679008
_cell_length_b 4.62679008
_cell_length_c 5.93686769
_cell_angle_alpha 89.99986978
_cell_angle_beta 90.00013022
_cell_angle_gamma 94.82482528
_space_group_name_H-M_al... |
MoveAroundAtomAction | 188d5b05-e938-4b63-be5a-0b37ae9df9c6 | mp-1103272 | Move all surrounding atoms within 2.802 angstrom around the center atom at index 10 by [-1.142 2.958 1.243] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr4Si4Ni4
_chemical_formula_sum "Zr4 Si4 Ni4"
_cell_length_a 3.79803846
_cell_length_b 6.46622311
_cell_length_c 7.25348711
_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 Zr4Si4Ni4
_chemical_formula_sum "Zr4 Si4 Ni4"
_cell_length_a 3.79803846
_cell_length_b 6.46622311
_cell_length_c 7.25348711
_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 | 2ff9f8be-9153-4574-a3c7-885a9ea3df24 | mp-563041 | Move all surrounding atoms within 2.847 angstrom around the center atom at index 14 by [-2.633 -0.019 3.071] angstrom in the cif file. | data_image0
_chemical_formula_structural K2V6Cu10O26
_chemical_formula_sum "K2 V6 Cu10 O26"
_cell_length_a 6.151583
_cell_length_b 8.30599131
_cell_length_c 10.90224523
_cell_angle_alpha 97.90928123
_cell_angle_beta 92.74881973
_cell_angle_gamma 90.59062806
_space_group_n... | data_image0
_chemical_formula_structural K2V6Cu10O26
_chemical_formula_sum "K2 V6 Cu10 O26"
_cell_length_a 6.151583
_cell_length_b 8.30599131
_cell_length_c 10.90224523
_cell_angle_alpha 97.90928123
_cell_angle_beta 92.74881973
_cell_angle_gamma 90.59062806
_space_group_n... |
MoveAroundAtomAction | 2898effb-5129-4187-8ebe-fb551555016b | mp-866709 | Move all surrounding atoms within 2.021 angstrom around the center atom at index 4 by [-1.579 1.365 -4.218] angstrom in the cif file. | data_image0
_chemical_formula_structural K4Cr2H4F16
_chemical_formula_sum "K4 Cr2 H4 F16"
_cell_length_a 8.101164
_cell_length_b 5.348595
_cell_length_c 8.42657027
_cell_angle_alpha 87.32804317
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural K4Cr2H4F16
_chemical_formula_sum "K4 Cr2 H4 F16"
_cell_length_a 8.101164
_cell_length_b 5.348595
_cell_length_c 8.42657027
_cell_angle_alpha 87.32804317
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveAroundAtomAction | d1586094-6c8a-4f10-9a29-46714db90a0e | mp-756511 | Move all surrounding atoms within 2.862 angstrom around the center atom at index 12 by [-1.871 0.039 -2.673] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V4B4O16
_chemical_formula_sum "Li4 V4 B4 O16"
_cell_length_a 3.113953
_cell_length_b 9.087917
_cell_length_c 9.415044
_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 Li4V4B4O16
_chemical_formula_sum "Li4 V4 B4 O16"
_cell_length_a 3.113953
_cell_length_b 9.087917
_cell_length_c 9.415044
_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 | 44445ca7-7f00-4370-aa4f-b557656c6f2b | mp-1195233 | Move all surrounding atoms within 3.719 angstrom around the center atom at index 12 by [-2.274 -0.708 2.25 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Al2Zn2B10H40C10N10O20
_chemical_formula_sum "Al2 Zn2 B10 H40 C10 N10 O20"
_cell_length_a 7.554322
_cell_length_b 9.3066998
_cell_length_c 13.97318333
_cell_angle_alpha 77.59534267
_cell_angle_beta 76.60262579
_cell_angle_gamma 68.03... | data_image0
_chemical_formula_structural Al2Zn2B10H40C10N10O20
_chemical_formula_sum "Al2 Zn2 B10 H40 C10 N10 O20"
_cell_length_a 7.554322
_cell_length_b 9.3066998
_cell_length_c 13.97318333
_cell_angle_alpha 77.59534267
_cell_angle_beta 76.60262579
_cell_angle_gamma 68.03... |
MoveAroundAtomAction | 497ec272-a923-4488-9f96-884d23d70cf6 | mp-3855 | Move all surrounding atoms within 2.885 angstrom around the center atom at index 12 by [-0.424 1.394 -2.616] angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Be4F16
_chemical_formula_sum "Na8 Be4 F16"
_cell_length_a 7.91401356
_cell_length_b 5.50453165
_cell_length_c 8.73089148
_cell_angle_alpha 61.61105424
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Na8Be4F16
_chemical_formula_sum "Na8 Be4 F16"
_cell_length_a 7.91401356
_cell_length_b 5.50453165
_cell_length_c 8.73089148
_cell_angle_alpha 61.61105424
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveAroundAtomAction | 1fca71e7-df4f-44d8-84a0-5adb66bdc20c | mp-771123 | Move all surrounding atoms within 3.453 angstrom around the center atom at index 16 by [-0.964 1.26 -2.525] angstrom in the cif file. | data_image0
_chemical_formula_structural Sc6Fe6O18
_chemical_formula_sum "Sc6 Fe6 O18"
_cell_length_a 5.84717964
_cell_length_b 5.84717964
_cell_length_c 11.581486
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999588000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sc6Fe6O18
_chemical_formula_sum "Sc6 Fe6 O18"
_cell_length_a 5.84717964
_cell_length_b 5.84717964
_cell_length_c 11.581486
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999588000001
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | acafe53a-3db1-4d19-ad16-e6231b8d1706 | mp-673347 | Move all surrounding atoms within 1.866 angstrom around the center atom at index 6 by [-2.074 -1.504 2.705] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb4H4O12
_chemical_formula_sum "Nb4 H4 O12"
_cell_length_a 6.745082
_cell_length_b 6.77872734
_cell_length_c 6.78036756
_cell_angle_alpha 110.05932264
_cell_angle_beta 108.24881913
_cell_angle_gamma 109.8068904
_space_group_name_H-... | data_image0
_chemical_formula_structural Nb4H4O12
_chemical_formula_sum "Nb4 H4 O12"
_cell_length_a 6.745082
_cell_length_b 6.77872734
_cell_length_c 6.78036756
_cell_angle_alpha 110.05932264
_cell_angle_beta 108.24881913
_cell_angle_gamma 109.8068904
_space_group_name_H-... |
MoveAroundAtomAction | c3d5accc-ed01-41c7-a47d-76e815a10bf2 | mp-1214900 | Move all surrounding atoms within 3.71 angstrom around the center atom at index 57 by [-4.307 -0.649 -1.112] angstrom in the cif file. | data_image0
_chemical_formula_structural B4C48Cl4F40
_chemical_formula_sum "B4 C48 Cl4 F40"
_cell_length_a 6.496112
_cell_length_b 14.75944
_cell_length_c 16.981840949999995
_cell_angle_alpha 57.459768459999985
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural B4C48Cl4F40
_chemical_formula_sum "B4 C48 Cl4 F40"
_cell_length_a 6.496112
_cell_length_b 14.75944
_cell_length_c 16.981840949999995
_cell_angle_alpha 57.459768459999985
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
MoveAroundAtomAction | 792c5af2-c90a-462a-bfa1-398b1315185b | mp-1247313 | Move all surrounding atoms within 2.771 angstrom around the center atom at index 1 by [ 3.874 -4.416 0.624] angstrom in the cif file. | data_image0
_chemical_formula_structural Zn16Ag4N12
_chemical_formula_sum "Zn16 Ag4 N12"
_cell_length_a 7.08364552
_cell_length_b 6.79057865
_cell_length_c 11.30124314
_cell_angle_alpha 92.11266917
_cell_angle_beta 94.26143464
_cell_angle_gamma 122.26437455999998
_space_g... | data_image0
_chemical_formula_structural Zn16Ag4N12
_chemical_formula_sum "Zn16 Ag4 N12"
_cell_length_a 7.08364552
_cell_length_b 6.79057865
_cell_length_c 11.30124314
_cell_angle_alpha 92.11266917
_cell_angle_beta 94.26143464
_cell_angle_gamma 122.26437455999998
_space_g... |
MoveAroundAtomAction | c579e078-82a9-4d21-9af3-08b814b0d6f0 | mp-584637 | Move all surrounding atoms within 3.34 angstrom around the center atom at index 6 by [-1.281 -3.965 -1.268] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr2P6O18
_chemical_formula_sum "Cr2 P6 O18"
_cell_length_a 6.61072228
_cell_length_b 6.610690540000001
_cell_length_c 9.672113889999999
_cell_angle_alpha 90.16251924
_cell_angle_beta 90.16212703
_cell_angle_gamma 60.09514252999999
... | data_image0
_chemical_formula_structural Cr2P6O18
_chemical_formula_sum "Cr2 P6 O18"
_cell_length_a 6.61072228
_cell_length_b 6.610690540000001
_cell_length_c 9.672113889999999
_cell_angle_alpha 90.16251924
_cell_angle_beta 90.16212703
_cell_angle_gamma 60.09514252999999
... |
MoveAroundAtomAction | 363c7bed-505b-49d9-9546-5733128b5f9a | mp-1224658 | Move all surrounding atoms within 3.495 angstrom around the center atom at index 17 by [0.254 0.331 1.553] angstrom in the cif file. | data_image0
_chemical_formula_structural Ho4Fe34C2
_chemical_formula_sum "Ho4 Fe34 C2"
_cell_length_a 8.249865
_cell_length_b 8.5140411
_cell_length_c 8.53877109
_cell_angle_alpha 119.90410991000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ho4Fe34C2
_chemical_formula_sum "Ho4 Fe34 C2"
_cell_length_a 8.249865
_cell_length_b 8.5140411
_cell_length_c 8.53877109
_cell_angle_alpha 119.90410991000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | 9887ad68-61a9-47e0-bac5-cd8ad711b16d | mp-1102237 | Move all surrounding atoms within 3.119 angstrom around the center atom at index 10 by [ 2.161 -0.28 -1.518] angstrom in the cif file. | data_image0
_chemical_formula_structural Lu2Ga8Fe
_chemical_formula_sum "Lu2 Ga8 Fe1"
_cell_length_a 4.246767
_cell_length_b 4.246767
_cell_length_c 10.958662
_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 Lu2Ga8Fe
_chemical_formula_sum "Lu2 Ga8 Fe1"
_cell_length_a 4.246767
_cell_length_b 4.246767
_cell_length_c 10.958662
_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 | 37bf36cf-5ef6-4401-a0b9-f14c4bb54db0 | mp-769018 | Move all surrounding atoms within 1.807 angstrom around the center atom at index 65 by [ 0.161 2.197 -1.325] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Fe8S12O48
_chemical_formula_sum "Li4 Fe8 S12 O48"
_cell_length_a 8.81743
_cell_length_b 8.529569
_cell_length_c 14.69161559
_cell_angle_alpha 55.572251030000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li4Fe8S12O48
_chemical_formula_sum "Li4 Fe8 S12 O48"
_cell_length_a 8.81743
_cell_length_b 8.529569
_cell_length_c 14.69161559
_cell_angle_alpha 55.572251030000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveAroundAtomAction | 515293f3-b407-4d9c-84ea-0d28008781fc | mp-1193362 | Move all surrounding atoms within 3.403 angstrom around the center atom at index 9 by [-0.24 -0.649 -0.529] angstrom in the cif file. | data_image0
_chemical_formula_structural Ce12Se12N4
_chemical_formula_sum "Ce12 Se12 N4"
_cell_length_a 4.18293152
_cell_length_b 12.8179042
_cell_length_c 13.46158808
_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 Ce12Se12N4
_chemical_formula_sum "Ce12 Se12 N4"
_cell_length_a 4.18293152
_cell_length_b 12.8179042
_cell_length_c 13.46158808
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveAroundAtomAction | f56ee333-3e7a-4bc7-9284-9f5d33a85022 | mp-1227612 | Move all surrounding atoms within 3.542 angstrom around the center atom at index 35 by [-0.424 -2.185 1.848] angstrom in the cif file. | data_image0
_chemical_formula_structural La18In10Se42
_chemical_formula_sum "La18 In10 Se42"
_cell_length_a 12.60651707
_cell_length_b 12.606517070000002
_cell_length_c 12.6065167
_cell_angle_alpha 96.01231212
_cell_angle_beta 96.01231212
_cell_angle_gamma 96.0123094
_spa... | data_image0
_chemical_formula_structural La18In10Se42
_chemical_formula_sum "La18 In10 Se42"
_cell_length_a 12.60651707
_cell_length_b 12.606517070000002
_cell_length_c 12.6065167
_cell_angle_alpha 96.01231212
_cell_angle_beta 96.01231212
_cell_angle_gamma 96.0123094
_spa... |
MoveAroundAtomAction | abe77d4d-4234-4eee-805a-b4d501c17bf4 | mp-757196 | Move all surrounding atoms within 3.062 angstrom around the center atom at index 5 by [ 3.077 -1.364 -3.389] angstrom in the cif file. | data_image0
_chemical_formula_structural Hg4W4O14
_chemical_formula_sum "Hg4 W4 O14"
_cell_length_a 5.314241
_cell_length_b 8.55690931
_cell_length_c 9.0940042
_cell_angle_alpha 105.56429948000002
_cell_angle_beta 105.92332113
_cell_angle_gamma 97.42922239
_space_group_na... | data_image0
_chemical_formula_structural Hg4W4O14
_chemical_formula_sum "Hg4 W4 O14"
_cell_length_a 5.314241
_cell_length_b 8.55690931
_cell_length_c 9.0940042
_cell_angle_alpha 105.56429948000002
_cell_angle_beta 105.92332113
_cell_angle_gamma 97.42922239
_space_group_na... |
MoveAroundAtomAction | c66f26a8-ee30-4ae0-b88c-ecff81ce7efd | mp-1191504 | Move all surrounding atoms within 2.489 angstrom around the center atom at index 18 by [-3.589 -0.256 2.743] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe2S4N2O16
_chemical_formula_sum "Fe2 S4 N2 O16"
_cell_length_a 4.89555972
_cell_length_b 4.89555972
_cell_length_c 16.71673
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999619
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Fe2S4N2O16
_chemical_formula_sum "Fe2 S4 N2 O16"
_cell_length_a 4.89555972
_cell_length_b 4.89555972
_cell_length_c 16.71673
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999619
_space_group_name_H-M_alt "... |
MoveAroundAtomAction | 23b1daf2-fd27-432f-884d-4a3aba552822 | mp-771953 | Move all surrounding atoms within 3.42 angstrom around the center atom at index 2 by [-0.051 -0.048 1.108] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Nb2Ni6O16
_chemical_formula_sum "Li4 Nb2 Ni6 O16"
_cell_length_a 5.87620765
_cell_length_b 5.87620765
_cell_length_c 9.636389
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999604
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li4Nb2Ni6O16
_chemical_formula_sum "Li4 Nb2 Ni6 O16"
_cell_length_a 5.87620765
_cell_length_b 5.87620765
_cell_length_c 9.636389
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999604
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | 16e5165d-fce2-4b8b-b64e-86ed4245cc41 | mp-603241 | Move all surrounding atoms within 3.107 angstrom around the center atom at index 60 by [-1.322 3.583 -0.093] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Fe4Si16O40
_chemical_formula_sum "Ba4 Fe4 Si16 O40"
_cell_length_a 10.88788597
_cell_length_b 10.88786546
_cell_length_c 11.1371523
_cell_angle_alpha 60.73805768
_cell_angle_beta 119.26190498999999
_cell_angle_gamma 89.99986976
... | data_image0
_chemical_formula_structural Ba4Fe4Si16O40
_chemical_formula_sum "Ba4 Fe4 Si16 O40"
_cell_length_a 10.88788597
_cell_length_b 10.88786546
_cell_length_c 11.1371523
_cell_angle_alpha 60.73805768
_cell_angle_beta 119.26190498999999
_cell_angle_gamma 89.99986976
... |
MoveAroundAtomAction | 2c608481-eae0-4a64-8131-7ea0556f3592 | mp-755663 | Move all surrounding atoms within 3.623 angstrom around the center atom at index 5 by [ 0.536 -1.57 -1.36 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta4Pb4O14
_chemical_formula_sum "Ta4 Pb4 O14"
_cell_length_a 13.63450404
_cell_length_b 13.63450404
_cell_length_c 5.8182024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 163.23215469999997
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ta4Pb4O14
_chemical_formula_sum "Ta4 Pb4 O14"
_cell_length_a 13.63450404
_cell_length_b 13.63450404
_cell_length_c 5.8182024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 163.23215469999997
_space_group_name_H-M_al... |
MoveAroundAtomAction | fcb2022e-3c2c-425e-88d2-298d3be94b27 | mp-1644899 | Move all surrounding atoms within 1.94 angstrom around the center atom at index 15 by [-0.393 -0.805 0.626] angstrom in the cif file. | data_image0
_chemical_formula_structural Li6V4C8O24
_chemical_formula_sum "Li6 V4 C8 O24"
_cell_length_a 7.66037472
_cell_length_b 7.65804484
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_angle_beta 106.37065208
_cell_angle_gamma 72.72422425
_space_group_n... | data_image0
_chemical_formula_structural Li6V4C8O24
_chemical_formula_sum "Li6 V4 C8 O24"
_cell_length_a 7.66037472
_cell_length_b 7.65804484
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_angle_beta 106.37065208
_cell_angle_gamma 72.72422425
_space_group_n... |
MoveAroundAtomAction | 444c4c16-85dc-45fc-bd88-63d337b5b8cd | mp-731799 | Move all surrounding atoms within 3.76 angstrom around the center atom at index 9 by [-3.121 4.176 -3.132] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg12C6Cl6O36
_chemical_formula_sum "Mg12 C6 Cl6 O36"
_cell_length_a 7.518464
_cell_length_b 13.36744087
_cell_length_c 13.44225658
_cell_angle_alpha 116.23411858999998
_cell_angle_beta 100.70271424
_cell_angle_gamma 100.870698739999... | data_image0
_chemical_formula_structural Mg12C6Cl6O36
_chemical_formula_sum "Mg12 C6 Cl6 O36"
_cell_length_a 7.518464
_cell_length_b 13.36744087
_cell_length_c 13.44225658
_cell_angle_alpha 116.23411858999998
_cell_angle_beta 100.70271424
_cell_angle_gamma 100.870698739999... |
MoveAroundAtomAction | 7032b6fa-1cf8-467d-a233-0a38d440a7dd | mp-1233509 | Move all surrounding atoms within 3.042 angstrom around the center atom at index 4 by [ 0.014 -2.249 4.187] angstrom in the cif file. | data_image0
_chemical_formula_structural CaSm4Tm4O12
_chemical_formula_sum "Ca1 Sm4 Tm4 O12"
_cell_length_a 6.15719197
_cell_length_b 8.540944
_cell_length_c 5.87282362
_cell_angle_alpha 90.0
_cell_angle_beta 90.73624520999999
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural CaSm4Tm4O12
_chemical_formula_sum "Ca1 Sm4 Tm4 O12"
_cell_length_a 6.15719197
_cell_length_b 8.540944
_cell_length_c 5.87282362
_cell_angle_alpha 90.0
_cell_angle_beta 90.73624520999999
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveAroundAtomAction | ccbd6c18-00b1-499f-99fa-761f390a916b | mp-2230445 | Move all surrounding atoms within 1.919 angstrom around the center atom at index 6 by [-1.331 -1.147 -3.118] angstrom in the cif file. | data_image0
_chemical_formula_structural MgMn6O7F5
_chemical_formula_sum "Mg1 Mn6 O7 F5"
_cell_length_a 5.1158998
_cell_length_b 7.606077739999999
_cell_length_c 5.84774966
_cell_angle_alpha 94.61415666
_cell_angle_beta 83.67986341
_cell_angle_gamma 93.05168575
_space_gro... | data_image0
_chemical_formula_structural MgMn6O7F5
_chemical_formula_sum "Mg1 Mn6 O7 F5"
_cell_length_a 5.1158998
_cell_length_b 7.606077739999999
_cell_length_c 5.84774966
_cell_angle_alpha 94.61415666
_cell_angle_beta 83.67986341
_cell_angle_gamma 93.05168575
_space_gro... |
MoveAroundAtomAction | 5a58a6dd-f0e6-433a-b26a-83ba7e432e6c | mp-1033378 | Move all surrounding atoms within 2.93 angstrom around the center atom at index 13 by [-0.437 -0.763 0.501] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg6CrBiO8
_chemical_formula_sum "Mg6 Cr1 Bi1 O8"
_cell_length_a 9.14803218
_cell_length_b 4.48557092
_cell_length_c 4.48557092
_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 Mg6CrBiO8
_chemical_formula_sum "Mg6 Cr1 Bi1 O8"
_cell_length_a 9.14803218
_cell_length_b 4.48557092
_cell_length_c 4.48557092
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveAroundAtomAction | 82dbaa86-f2c2-4c04-867c-13dda472231a | mp-555231 | Move all surrounding atoms within 3.359 angstrom around the center atom at index 23 by [-0.265 1.53 -1.826] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba6Bi4P8O32
_chemical_formula_sum "Ba6 Bi4 P8 O32"
_cell_length_a 11.31972441
_cell_length_b 11.31972441
_cell_length_c 8.859109460000003
_cell_angle_alpha 71.80341612
_cell_angle_beta 71.80341612
_cell_angle_gamma 46.15737832999998... | data_image0
_chemical_formula_structural Ba6Bi4P8O32
_chemical_formula_sum "Ba6 Bi4 P8 O32"
_cell_length_a 11.31972441
_cell_length_b 11.31972441
_cell_length_c 8.859109460000003
_cell_angle_alpha 71.80341612
_cell_angle_beta 71.80341612
_cell_angle_gamma 46.15737832999998... |
MoveAroundAtomAction | a3fd5f29-b55e-410c-b9f8-41f977a998af | mp-1175381 | Move all surrounding atoms within 3.481 angstrom around the center atom at index 31 by [ 0.828 -1.891 -1.49 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li9Co7O16
_chemical_formula_sum "Li9 Co7 O16"
_cell_length_a 4.85598167
_cell_length_b 5.654774270000001
_cell_length_c 9.73929776
_cell_angle_alpha 89.33676523
_cell_angle_beta 99.52640282
_cell_angle_gamma 106.64988519
_space_gro... | data_image0
_chemical_formula_structural Li9Co7O16
_chemical_formula_sum "Li9 Co7 O16"
_cell_length_a 4.85598167
_cell_length_b 5.654774270000001
_cell_length_c 9.73929776
_cell_angle_alpha 89.33676523
_cell_angle_beta 99.52640282
_cell_angle_gamma 106.64988519
_space_gro... |
MoveAroundAtomAction | aed003d8-5461-4ce4-9132-b7e27343cf96 | mp-1523289 | Move all surrounding atoms within 3.209 angstrom around the center atom at index 1 by [ 1.768 -1.864 -1.927] angstrom in the cif file. | data_image0
_chemical_formula_structural BaCaSn4O12
_chemical_formula_sum "Ba1 Ca1 Sn4 O12"
_cell_length_a 5.80842052
_cell_length_b 5.808420519999999
_cell_length_c 8.17261522
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.94865429999999
_space_group_n... | data_image0
_chemical_formula_structural BaCaSn4O12
_chemical_formula_sum "Ba1 Ca1 Sn4 O12"
_cell_length_a 5.80842052
_cell_length_b 5.808420519999999
_cell_length_c 8.17261522
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.94865429999999
_space_group_n... |
MoveAroundAtomAction | 8a32b792-e1a0-46ec-93d0-8530a8192ea7 | mp-607917 | Move all surrounding atoms within 3.3 angstrom around the center atom at index 9 by [-0.945 1.495 0.213] angstrom in the cif file. | data_image0
_chemical_formula_structural La21Fe8Sn7C12
_chemical_formula_sum "La21 Fe8 Sn7 C12"
_cell_length_a 11.6435625
_cell_length_b 11.6435625
_cell_length_c 11.643562499999998
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural La21Fe8Sn7C12
_chemical_formula_sum "La21 Fe8 Sn7 C12"
_cell_length_a 11.6435625
_cell_length_b 11.6435625
_cell_length_c 11.643562499999998
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... |
MoveAroundAtomAction | ffbbe9d1-50c8-4b6b-8e22-4b14d37a623a | mp-759596 | Move all surrounding atoms within 3.84 angstrom around the center atom at index 28 by [ 1.229 -1.116 3.048] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Bi4P8O28
_chemical_formula_sum "Li4 Bi4 P8 O28"
_cell_length_a 5.614483
_cell_length_b 8.909416
_cell_length_c 14.112306079999998
_cell_angle_alpha 59.75628626999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Li4Bi4P8O28
_chemical_formula_sum "Li4 Bi4 P8 O28"
_cell_length_a 5.614483
_cell_length_b 8.909416
_cell_length_c 14.112306079999998
_cell_angle_alpha 59.75628626999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
MoveAroundAtomAction | 43063dbc-f6e4-4a86-a5d4-a8f9cb31de14 | mp-1207656 | Move all surrounding atoms within 2.239 angstrom around the center atom at index 28 by [2.562 2.361 1.433] angstrom in the cif file. | data_image0
_chemical_formula_structural Y4Pt4F28
_chemical_formula_sum "Y4 Pt4 F28"
_cell_length_a 5.41969803
_cell_length_b 8.78192589
_cell_length_c 11.88004866
_cell_angle_alpha 62.30397471
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Y4Pt4F28
_chemical_formula_sum "Y4 Pt4 F28"
_cell_length_a 5.41969803
_cell_length_b 8.78192589
_cell_length_c 11.88004866
_cell_angle_alpha 62.30397471
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveAroundAtomAction | 953eb63a-f419-4f2c-9e44-25b05760b866 | mp-1227411 | Move all surrounding atoms within 3.831 angstrom around the center atom at index 0 by [ 0.504 -4.794 3.792] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Sr2Ni2W2O12
_chemical_formula_sum "Ba2 Sr2 Ni2 W2 O12"
_cell_length_a 5.73439911
_cell_length_b 5.73435315
_cell_length_c 9.9321412
_cell_angle_alpha 73.22091339
_cell_angle_beta 90.00004487000001
_cell_angle_gamma 59.99966143999... | data_image0
_chemical_formula_structural Ba2Sr2Ni2W2O12
_chemical_formula_sum "Ba2 Sr2 Ni2 W2 O12"
_cell_length_a 5.73439911
_cell_length_b 5.73435315
_cell_length_c 9.9321412
_cell_angle_alpha 73.22091339
_cell_angle_beta 90.00004487000001
_cell_angle_gamma 59.99966143999... |
MoveAroundAtomAction | 59c361e7-b285-4b78-91dd-e8ead3371919 | mp-1111394 | Move all surrounding atoms within 3.202 angstrom around the center atom at index 7 by [2.236 0.282 1.257] angstrom in the cif file. | data_image0
_chemical_formula_structural CsRb2IrF6
_chemical_formula_sum "Cs1 Rb2 Ir1 F6"
_cell_length_a 6.78428369
_cell_length_b 6.78428369
_cell_length_c 6.78428369
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural CsRb2IrF6
_chemical_formula_sum "Cs1 Rb2 Ir1 F6"
_cell_length_a 6.78428369
_cell_length_b 6.78428369
_cell_length_c 6.78428369
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... |
MoveAroundAtomAction | 4cb9f538-2b0f-44cf-84a2-216efebb3f9a | mp-30902 | Move all surrounding atoms within 2.654 angstrom around the center atom at index 11 by [2.321 0.941 1.853] angstrom in the cif file. | data_image0
_chemical_formula_structural Er4Ru4O14
_chemical_formula_sum "Er4 Ru4 O14"
_cell_length_a 7.187319
_cell_length_b 7.187319
_cell_length_c 7.187318999999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural Er4Ru4O14
_chemical_formula_sum "Er4 Ru4 O14"
_cell_length_a 7.187319
_cell_length_b 7.187319
_cell_length_c 7.187318999999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... |
MoveAroundAtomAction | 372f3373-1034-4b04-bab3-12af2889e82d | mp-772438 | Move all surrounding atoms within 2.37 angstrom around the center atom at index 47 by [-0.161 2.141 -2.382] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Co8P8O32
_chemical_formula_sum "Li8 Co8 P8 O32"
_cell_length_a 10.70056
_cell_length_b 5.706775
_cell_length_c 9.91070808
_cell_angle_alpha 88.30664252999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Li8Co8P8O32
_chemical_formula_sum "Li8 Co8 P8 O32"
_cell_length_a 10.70056
_cell_length_b 5.706775
_cell_length_c 9.91070808
_cell_angle_alpha 88.30664252999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveAroundAtomAction | 5a5155fd-9d56-4699-aa7e-5e93556c4c4e | mp-1209996 | Move all surrounding atoms within 3.246 angstrom around the center atom at index 14 by [ 0.857 0.791 -1.051] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd4Mo4O8
_chemical_formula_sum "Nd4 Mo4 O8"
_cell_length_a 7.63330738
_cell_length_b 7.63330738
_cell_length_c 7.63330738
_cell_angle_alpha 129.93531083
_cell_angle_beta 129.93531083
_cell_angle_gamma 73.51020212
_space_group_name_... | data_image0
_chemical_formula_structural Nd4Mo4O8
_chemical_formula_sum "Nd4 Mo4 O8"
_cell_length_a 7.63330738
_cell_length_b 7.63330738
_cell_length_c 7.63330738
_cell_angle_alpha 129.93531083
_cell_angle_beta 129.93531083
_cell_angle_gamma 73.51020212
_space_group_name_... |
MoveAroundAtomAction | 524a6a33-f40f-400e-a4ef-dc67e2de5255 | mp-1239200 | Move all surrounding atoms within 3.725 angstrom around the center atom at index 10 by [ 5.666 -2.995 1.244] 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 | 5478cfba-e6e2-4985-89b3-3683640c78d0 | mp-1110899 | Move all surrounding atoms within 3.947 angstrom around the center atom at index 4 by [1.937 0.681 1.59 ] angstrom in the cif file. | data_image0
_chemical_formula_structural K2LiSbBr6
_chemical_formula_sum "K2 Li1 Sb1 Br6"
_cell_length_a 7.82342236
_cell_length_b 7.82342236
_cell_length_c 7.823422360000001
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... | data_image0
_chemical_formula_structural K2LiSbBr6
_chemical_formula_sum "K2 Li1 Sb1 Br6"
_cell_length_a 7.82342236
_cell_length_b 7.82342236
_cell_length_c 7.823422360000001
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... |
MoveAroundAtomAction | 8ae1d8dc-3f2e-4758-897d-8d4a78aa048e | mp-760242 | Move all surrounding atoms within 3.317 angstrom around the center atom at index 12 by [ 0.845 -0.812 1.546] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2V2O2F8
_chemical_formula_sum "Li2 V2 O2 F8"
_cell_length_a 5.401869
_cell_length_b 5.69685013
_cell_length_c 7.03443399
_cell_angle_alpha 104.48111898
_cell_angle_beta 96.25876045999999
_cell_angle_gamma 112.17030088
_space_grou... | data_image0
_chemical_formula_structural Li2V2O2F8
_chemical_formula_sum "Li2 V2 O2 F8"
_cell_length_a 5.401869
_cell_length_b 5.69685013
_cell_length_c 7.03443399
_cell_angle_alpha 104.48111898
_cell_angle_beta 96.25876045999999
_cell_angle_gamma 112.17030088
_space_grou... |
MoveAroundAtomAction | df581211-63d9-4dfa-b138-75b201427762 | mp-767720 | Move all surrounding atoms within 3.725 angstrom around the center atom at index 5 by [ 0.515 0.808 -1.58 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V8Si8O26
_chemical_formula_sum "Li4 V8 Si8 O26"
_cell_length_a 6.939269
_cell_length_b 8.01079086
_cell_length_c 10.37522651
_cell_angle_alpha 67.56335181999998
_cell_angle_beta 80.59947301
_cell_angle_gamma 77.53752448
_space_g... | data_image0
_chemical_formula_structural Li4V8Si8O26
_chemical_formula_sum "Li4 V8 Si8 O26"
_cell_length_a 6.939269
_cell_length_b 8.01079086
_cell_length_c 10.37522651
_cell_angle_alpha 67.56335181999998
_cell_angle_beta 80.59947301
_cell_angle_gamma 77.53752448
_space_g... |
MoveAroundAtomAction | f28d3609-84b2-4b3d-9bf6-05d7cbd3fe88 | mp-560925 | Move all surrounding atoms within 3.579 angstrom around the center atom at index 29 by [ 0.156 0.376 -1.841] angstrom in the cif file. | data_image0
_chemical_formula_structural Na10Fe6F28
_chemical_formula_sum "Na10 Fe6 F28"
_cell_length_a 7.428808
_cell_length_b 7.528727
_cell_length_c 12.87864626
_cell_angle_alpha 55.22259577
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Na10Fe6F28
_chemical_formula_sum "Na10 Fe6 F28"
_cell_length_a 7.428808
_cell_length_b 7.528727
_cell_length_c 12.87864626
_cell_angle_alpha 55.22259577
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveAroundAtomAction | 071a6def-b19a-4408-b444-c9174340c359 | mp-1221912 | Move all surrounding atoms within 3.027 angstrom around the center atom at index 6 by [-0.093 -0.478 0.454] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn2CrGa3S8
_chemical_formula_sum "Mn2 Cr1 Ga3 S8"
_cell_length_a 12.591627
_cell_length_b 12.591627
_cell_length_c 6.476595429999999
_cell_angle_alpha 85.14436659
_cell_angle_beta 85.14436659
_cell_angle_gamma 16.866044550000005
_s... | data_image0
_chemical_formula_structural Mn2CrGa3S8
_chemical_formula_sum "Mn2 Cr1 Ga3 S8"
_cell_length_a 12.591627
_cell_length_b 12.591627
_cell_length_c 6.476595429999999
_cell_angle_alpha 85.14436659
_cell_angle_beta 85.14436659
_cell_angle_gamma 16.866044550000005
_s... |
MoveAroundAtomAction | 704dc2e4-97f8-41e9-a6cf-3b1decb7b2e3 | mp-1223870 | Move all surrounding atoms within 2.883 angstrom around the center atom at index 8 by [-3.732 1.942 1.224] angstrom in the cif file. | data_image0
_chemical_formula_structural Hf4Al6Pd2
_chemical_formula_sum "Hf4 Al6 Pd2"
_cell_length_a 5.29472706
_cell_length_b 5.29472706
_cell_length_c 8.31552766
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000427000002
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Hf4Al6Pd2
_chemical_formula_sum "Hf4 Al6 Pd2"
_cell_length_a 5.29472706
_cell_length_b 5.29472706
_cell_length_c 8.31552766
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000427000002
_space_group_name_H-M_alt... |
MoveAroundAtomAction | cbe8d8af-84a8-4735-896b-0a33ecde2109 | mp-8876 | Move all surrounding atoms within 3.393 angstrom around the center atom at index 18 by [-1.449 -1.47 1.546] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Al6SO12
_chemical_formula_sum "Ca4 Al6 S1 O12"
_cell_length_a 7.87792826
_cell_length_b 7.87792826
_cell_length_c 7.87792826
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_grou... | data_image0
_chemical_formula_structural Ca4Al6SO12
_chemical_formula_sum "Ca4 Al6 S1 O12"
_cell_length_a 7.87792826
_cell_length_b 7.87792826
_cell_length_c 7.87792826
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_grou... |
MoveAroundAtomAction | e08751c4-b0eb-4908-84bd-0b6dc565aff4 | mp-1180875 | Move all surrounding atoms within 2.438 angstrom around the center atom at index 1 by [-3.743 2.277 2.487] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn2N12O32
_chemical_formula_sum "Mn2 N12 O32"
_cell_length_a 6.834622
_cell_length_b 9.156219
_cell_length_c 13.35670917
_cell_angle_alpha 64.60164224
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Mn2N12O32
_chemical_formula_sum "Mn2 N12 O32"
_cell_length_a 6.834622
_cell_length_b 9.156219
_cell_length_c 13.35670917
_cell_angle_alpha 64.60164224
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveAroundAtomAction | ba6e8d9a-61ed-44ad-93bf-39ab8b2c3db7 | mp-1204905 | Move all surrounding atoms within 2.907 angstrom around the center atom at index 30 by [ 0.681 -1.116 -1.481] angstrom in the cif file. | data_image0
_chemical_formula_structural Y4Al6Co28
_chemical_formula_sum "Y4 Al6 Co28"
_cell_length_a 8.3658884
_cell_length_b 8.3658884
_cell_length_c 8.173345
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000032
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Y4Al6Co28
_chemical_formula_sum "Y4 Al6 Co28"
_cell_length_a 8.3658884
_cell_length_b 8.3658884
_cell_length_c 8.173345
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000032
_space_group_name_H-M_alt "P 1"
_... |
MoveAroundAtomAction | fd1aae2b-a221-4fb4-8d08-a4555c7d3009 | mp-1305320 | Move all surrounding atoms within 2.795 angstrom around the center atom at index 15 by [3.358 1.312 1.664] angstrom in the cif file. | data_image0
_chemical_formula_structural Li16Co2O10F2
_chemical_formula_sum "Li16 Co2 O10 F2"
_cell_length_a 5.29848206
_cell_length_b 10.55721191
_cell_length_c 5.43920368
_cell_angle_alpha 104.69546631
_cell_angle_beta 65.38784396
_cell_angle_gamma 92.99284474
_space_gr... | data_image0
_chemical_formula_structural Li16Co2O10F2
_chemical_formula_sum "Li16 Co2 O10 F2"
_cell_length_a 5.29848206
_cell_length_b 10.55721191
_cell_length_c 5.43920368
_cell_angle_alpha 104.69546631
_cell_angle_beta 65.38784396
_cell_angle_gamma 92.99284474
_space_gr... |
MoveAroundAtomAction | 9e4cc703-1bd7-4c8c-b386-bc274906be5a | mp-1113545 | Move all surrounding atoms within 3.862 angstrom around the center atom at index 7 by [-1.13 -2.576 -0.292] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2HgAsI6
_chemical_formula_sum "Rb2 Hg1 As1 I6"
_cell_length_a 8.49309349
_cell_length_b 8.49309349
_cell_length_c 8.49309349
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Rb2HgAsI6
_chemical_formula_sum "Rb2 Hg1 As1 I6"
_cell_length_a 8.49309349
_cell_length_b 8.49309349
_cell_length_c 8.49309349
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... |
MoveAroundAtomAction | 6f9f3491-381d-48f6-b483-d3c9a7b94ec0 | mp-776358 | Move all surrounding atoms within 3.867 angstrom around the center atom at index 44 by [-0.163 -2.555 -1.982] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Mn4C8S2O32
_chemical_formula_sum "Li8 Mn4 C8 S2 O32"
_cell_length_a 9.68366697
_cell_length_b 9.49456407
_cell_length_c 9.36586872
_cell_angle_alpha 61.78178144999998
_cell_angle_beta 59.76256551999999
_cell_angle_gamma 58.455653... | data_image0
_chemical_formula_structural Li8Mn4C8S2O32
_chemical_formula_sum "Li8 Mn4 C8 S2 O32"
_cell_length_a 9.68366697
_cell_length_b 9.49456407
_cell_length_c 9.36586872
_cell_angle_alpha 61.78178144999998
_cell_angle_beta 59.76256551999999
_cell_angle_gamma 58.455653... |
MoveAroundAtomAction | 01ef929e-7b5f-43cf-bd9a-056962238bf9 | mp-26721 | Move all surrounding atoms within 3.52 angstrom around the center atom at index 15 by [ 0.964 0.328 -1.116] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Nb2P4O16
_chemical_formula_sum "Li4 Nb2 P4 O16"
_cell_length_a 5.147372
_cell_length_b 7.732942250000001
_cell_length_c 8.169266
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 93.86321496
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li4Nb2P4O16
_chemical_formula_sum "Li4 Nb2 P4 O16"
_cell_length_a 5.147372
_cell_length_b 7.732942250000001
_cell_length_c 8.169266
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 93.86321496
_space_group_name_H-M_al... |
MoveAroundAtomAction | 522eb195-56bb-46f0-9a4e-fd830898146a | mp-1197552 | Move all surrounding atoms within 3.241 angstrom around the center atom at index 17 by [-4.023 -1.746 0.275] angstrom in the cif file. | data_image0
_chemical_formula_structural U8Pb4Se20
_chemical_formula_sum "U8 Pb4 Se20"
_cell_length_a 7.822693
_cell_length_b 8.1085
_cell_length_c 12.886077
_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 U8Pb4Se20
_chemical_formula_sum "U8 Pb4 Se20"
_cell_length_a 7.822693
_cell_length_b 8.1085
_cell_length_c 12.886077
_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 | 017a66fd-cced-4259-afbe-20288b935a49 | mp-861986 | Move all surrounding atoms within 3.93 angstrom around the center atom at index 16 by [-1.777 2.671 0.901] angstrom in the cif file. | data_image0
_chemical_formula_structural Pr10Al4Ru6
_chemical_formula_sum "Pr10 Al4 Ru6"
_cell_length_a 8.57985719
_cell_length_b 8.57985719
_cell_length_c 8.57985719
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_... | data_image0
_chemical_formula_structural Pr10Al4Ru6
_chemical_formula_sum "Pr10 Al4 Ru6"
_cell_length_a 8.57985719
_cell_length_b 8.57985719
_cell_length_c 8.57985719
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_... |
MoveAroundAtomAction | d48a1f59-27bb-4573-87f1-984a298e67d3 | mp-1355331 | Move all surrounding atoms within 2.357 angstrom around the center atom at index 9 by [-0.822 3.609 -0.015] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr6H10Os4O16
_chemical_formula_sum "Sr6 H10 Os4 O16"
_cell_length_a 5.877961
_cell_length_b 9.943458519999998
_cell_length_c 10.79790845
_cell_angle_alpha 116.61953445
_cell_angle_beta 87.11798931999999
_cell_angle_gamma 106.6839357... | data_image0
_chemical_formula_structural Sr6H10Os4O16
_chemical_formula_sum "Sr6 H10 Os4 O16"
_cell_length_a 5.877961
_cell_length_b 9.943458519999998
_cell_length_c 10.79790845
_cell_angle_alpha 116.61953445
_cell_angle_beta 87.11798931999999
_cell_angle_gamma 106.6839357... |
MoveAroundAtomAction | 922de6cb-e519-45fa-9468-d2ce53803bb8 | mp-756284 | Move all surrounding atoms within 2.521 angstrom around the center atom at index 3 by [0.472 0.623 0.383] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Co4B4O12
_chemical_formula_sum "Li4 Co4 B4 O12"
_cell_length_a 3.11646909
_cell_length_b 9.157085840000002
_cell_length_c 9.38489997
_cell_angle_alpha 89.99324704
_cell_angle_beta 90.64960494
_cell_angle_gamma 89.45897561
_space... | data_image0
_chemical_formula_structural Li4Co4B4O12
_chemical_formula_sum "Li4 Co4 B4 O12"
_cell_length_a 3.11646909
_cell_length_b 9.157085840000002
_cell_length_c 9.38489997
_cell_angle_alpha 89.99324704
_cell_angle_beta 90.64960494
_cell_angle_gamma 89.45897561
_space... |
MoveAroundAtomAction | 61102c3c-56fb-46df-a429-a5282c85bfbd | mp-1202862 | Move all surrounding atoms within 3.775 angstrom around the center atom at index 35 by [-4.911 0.22 1.054] angstrom in the cif file. | data_image0
_chemical_formula_structural Co4S12N12O8
_chemical_formula_sum "Co4 S12 N12 O8"
_cell_length_a 15.606677
_cell_length_b 6.367947
_cell_length_c 7.57317343
_cell_angle_alpha 76.70725749
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Co4S12N12O8
_chemical_formula_sum "Co4 S12 N12 O8"
_cell_length_a 15.606677
_cell_length_b 6.367947
_cell_length_c 7.57317343
_cell_angle_alpha 76.70725749
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveAroundAtomAction | 3002f968-86dc-4d2a-a442-ad349409afab | mp-1209468 | Move all surrounding atoms within 3.595 angstrom around the center atom at index 6 by [-2.629 2.02 -0.184] angstrom in the cif file. | data_image0
_chemical_formula_structural Pr8Rh2
_chemical_formula_sum "Pr8 Rh2"
_cell_length_a 7.95426398
_cell_length_b 7.95426398
_cell_length_c 7.95426398
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_... | data_image0
_chemical_formula_structural Pr8Rh2
_chemical_formula_sum "Pr8 Rh2"
_cell_length_a 7.95426398
_cell_length_b 7.95426398
_cell_length_c 7.95426398
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_... |
MoveAroundAtomAction | 17c6355c-855e-4766-99a4-e8d5a2d73cbb | mp-1207687 | Move all surrounding atoms within 3.62 angstrom around the center atom at index 0 by [-0.674 -1.474 -0.053] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr8In12
_chemical_formula_sum "Zr8 In12"
_cell_length_a 6.867919
_cell_length_b 6.867919
_cell_length_c 11.447915710000002
_cell_angle_alpha 107.45542208
_cell_angle_beta 107.45542208
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Zr8In12
_chemical_formula_sum "Zr8 In12"
_cell_length_a 6.867919
_cell_length_b 6.867919
_cell_length_c 11.447915710000002
_cell_angle_alpha 107.45542208
_cell_angle_beta 107.45542208
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
MoveAroundAtomAction | 58850d93-5a84-4c21-8282-2e4ffd958a06 | mp-1213028 | Move all surrounding atoms within 3.767 angstrom around the center atom at index 11 by [3.562 0.743 1.162] angstrom in the cif file. | data_image0
_chemical_formula_structural ErMn6Sn4Ge2
_chemical_formula_sum "Er1 Mn6 Sn4 Ge2"
_cell_length_a 5.3464204
_cell_length_b 5.3464204
_cell_length_c 8.664624
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000494
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural ErMn6Sn4Ge2
_chemical_formula_sum "Er1 Mn6 Sn4 Ge2"
_cell_length_a 5.3464204
_cell_length_b 5.3464204
_cell_length_c 8.664624
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000494
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | db80f9f0-c69f-4f81-b19c-c7c483e7e014 | mp-771449 | Move all surrounding atoms within 1.757 angstrom around the center atom at index 13 by [-0.059 -0.527 -0.264] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn8P4O20
_chemical_formula_sum "Mn8 P4 O20"
_cell_length_a 6.06590547
_cell_length_b 7.30265316
_cell_length_c 8.43159788
_cell_angle_alpha 105.7104987
_cell_angle_beta 88.4740915
_cell_angle_gamma 99.33702759999998
_space_group_na... | data_image0
_chemical_formula_structural Mn8P4O20
_chemical_formula_sum "Mn8 P4 O20"
_cell_length_a 6.06590547
_cell_length_b 7.30265316
_cell_length_c 8.43159788
_cell_angle_alpha 105.7104987
_cell_angle_beta 88.4740915
_cell_angle_gamma 99.33702759999998
_space_group_na... |
MoveAroundAtomAction | 1cfc69ed-a165-4f80-a9df-261bf112ca2b | mp-28507 | Move all surrounding atoms within 3.176 angstrom around the center atom at index 66 by [-0.808 1.707 2.024] angstrom in the cif file. | data_image0
_chemical_formula_structural La16Nb14S44
_chemical_formula_sum "La16 Nb14 S44"
_cell_length_a 16.39108437
_cell_length_b 16.39108437
_cell_length_c 5.8438245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.68789976
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La16Nb14S44
_chemical_formula_sum "La16 Nb14 S44"
_cell_length_a 16.39108437
_cell_length_b 16.39108437
_cell_length_c 5.8438245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.68789976
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | 5fe44472-0562-4c10-90f3-0101e17dd29f | mp-31486 | Move all surrounding atoms within 3.127 angstrom around the center atom at index 11 by [-0.367 0.512 1.936] angstrom in the cif file. | data_image0
_chemical_formula_structural K8Sn4Bi4
_chemical_formula_sum "K8 Sn4 Bi4"
_cell_length_a 6.58790816
_cell_length_b 6.81610235
_cell_length_c 13.44613075
_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 K8Sn4Bi4
_chemical_formula_sum "K8 Sn4 Bi4"
_cell_length_a 6.58790816
_cell_length_b 6.81610235
_cell_length_c 13.44613075
_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 | 3d9ea392-b55f-4840-a7a0-6a8c35274f87 | mp-557123 | Move all surrounding atoms within 2.162 angstrom around the center atom at index 16 by [ 2.921 -1.787 0.588] angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Cu4Si12O32
_chemical_formula_sum "Na8 Cu4 Si12 O32"
_cell_length_a 10.410557
_cell_length_b 8.012812
_cell_length_c 9.73027488
_cell_angle_alpha 74.34396582
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na8Cu4Si12O32
_chemical_formula_sum "Na8 Cu4 Si12 O32"
_cell_length_a 10.410557
_cell_length_b 8.012812
_cell_length_c 9.73027488
_cell_angle_alpha 74.34396582
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | 2d2872b4-e8ce-462d-88fc-03778b04d38d | mp-554002 | Move all surrounding atoms within 1.059 angstrom around the center atom at index 4 by [-2.091 -2.655 2.156] angstrom in the cif file. | data_image0
_chemical_formula_structural Al2H6O6
_chemical_formula_sum "Al2 H6 O6"
_cell_length_a 4.959562
_cell_length_b 5.14807988
_cell_length_c 5.19558482
_cell_angle_alpha 103.44678532
_cell_angle_beta 98.72321195
_cell_angle_gamma 118.00210368
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Al2H6O6
_chemical_formula_sum "Al2 H6 O6"
_cell_length_a 4.959562
_cell_length_b 5.14807988
_cell_length_c 5.19558482
_cell_angle_alpha 103.44678532
_cell_angle_beta 98.72321195
_cell_angle_gamma 118.00210368
_space_group_name_H-M_... |
MoveAroundAtomAction | 4d73eb29-b208-46f9-8a93-a465521c799b | mp-1214900 | Move all surrounding atoms within 3.02 angstrom around the center atom at index 23 by [ 0.207 0.998 -1.754] angstrom in the cif file. | data_image0
_chemical_formula_structural B4C48Cl4F40
_chemical_formula_sum "B4 C48 Cl4 F40"
_cell_length_a 6.496112
_cell_length_b 14.75944
_cell_length_c 16.981840949999995
_cell_angle_alpha 57.459768459999985
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural B4C48Cl4F40
_chemical_formula_sum "B4 C48 Cl4 F40"
_cell_length_a 6.496112
_cell_length_b 14.75944
_cell_length_c 16.981840949999995
_cell_angle_alpha 57.459768459999985
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
MoveAroundAtomAction | 0b6e6306-0366-4bb7-b27d-88bcbe7efa94 | mp-1227442 | Move all surrounding atoms within 1.956 angstrom around the center atom at index 3 by [ 4.185 -0.191 3.786] angstrom in the cif file. | data_image0
_chemical_formula_structural Be2BH3O5
_chemical_formula_sum "Be2 B1 H3 O5"
_cell_length_a 4.41713532
_cell_length_b 4.43574167
_cell_length_c 5.27555646
_cell_angle_alpha 92.43461318
_cell_angle_beta 89.13916789
_cell_angle_gamma 119.89439418000002
_space_grou... | data_image0
_chemical_formula_structural Be2BH3O5
_chemical_formula_sum "Be2 B1 H3 O5"
_cell_length_a 4.41713532
_cell_length_b 4.43574167
_cell_length_c 5.27555646
_cell_angle_alpha 92.43461318
_cell_angle_beta 89.13916789
_cell_angle_gamma 119.89439418000002
_space_grou... |
MoveAroundAtomAction | 2a40d31b-db56-4f3e-8c0d-221bebd9c26a | mp-1191389 | Move all surrounding atoms within 1.904 angstrom around the center atom at index 9 by [ 2.851 -2.27 -3.059] angstrom in the cif file. | data_image0
_chemical_formula_structural Pr4V4O16
_chemical_formula_sum "Pr4 V4 O16"
_cell_length_a 6.66898717
_cell_length_b 6.9885765200000005
_cell_length_c 7.220464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.19302093999998
_space_group_name_H-M... | data_image0
_chemical_formula_structural Pr4V4O16
_chemical_formula_sum "Pr4 V4 O16"
_cell_length_a 6.66898717
_cell_length_b 6.9885765200000005
_cell_length_c 7.220464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.19302093999998
_space_group_name_H-M... |
MoveAroundAtomAction | 951e4aa9-1499-468a-9f6b-0bf2b47ed2da | mp-1220625 | Move all surrounding atoms within 2.943 angstrom around the center atom at index 7 by [ 2.502 -1.448 0.094] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd4Si7
_chemical_formula_sum "Nd4 Si7"
_cell_length_a 3.267497
_cell_length_b 5.589329
_cell_length_c 15.816714
_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 Nd4Si7
_chemical_formula_sum "Nd4 Si7"
_cell_length_a 3.267497
_cell_length_b 5.589329
_cell_length_c 15.816714
_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 | 6c11827c-b616-4b59-96b8-63ab1361188f | mp-2452 | Move all surrounding atoms within 3.875 angstrom around the center atom at index 1 by [ 0.214 1. -2.433] angstrom in the cif file. | data_image0
_chemical_formula_structural P4O10
_chemical_formula_sum "P4 O10"
_cell_length_a 4.83501677
_cell_length_b 4.83501534
_cell_length_c 8.56186796
_cell_angle_alpha 99.5390988
_cell_angle_beta 99.53909892000001
_cell_angle_gamma 114.39856376
_space_group_name_H-M... | data_image0
_chemical_formula_structural P4O10
_chemical_formula_sum "P4 O10"
_cell_length_a 4.83501677
_cell_length_b 4.83501534
_cell_length_c 8.56186796
_cell_angle_alpha 99.5390988
_cell_angle_beta 99.53909892000001
_cell_angle_gamma 114.39856376
_space_group_name_H-M... |
MoveAroundAtomAction | eeb1c019-84ab-4886-95db-23a0af1e583f | mp-6564 | Move all surrounding atoms within 3.8 angstrom around the center atom at index 5 by [-1.601 0.789 -1.327] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr4Mg2Si4O14
_chemical_formula_sum "Sr4 Mg2 Si4 O14"
_cell_length_a 8.09718
_cell_length_b 8.09718
_cell_length_c 5.22654
_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 Sr4Mg2Si4O14
_chemical_formula_sum "Sr4 Mg2 Si4 O14"
_cell_length_a 8.09718
_cell_length_b 8.09718
_cell_length_c 5.22654
_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 | 54db4042-e696-4593-b0b5-3a87af668b7e | mp-19984 | Move all surrounding atoms within 2.136 angstrom around the center atom at index 19 by [-0.4 -2.38 -1.542] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb4B16
_chemical_formula_sum "Tb4 B16"
_cell_length_a 8.521227
_cell_length_b 8.521227
_cell_length_c 4.201706
_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_n... | data_image0
_chemical_formula_structural Tb4B16
_chemical_formula_sum "Tb4 B16"
_cell_length_a 8.521227
_cell_length_b 8.521227
_cell_length_c 4.201706
_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_n... |
MoveAroundAtomAction | 363f5707-e149-4eca-8960-c6106f0cd8f5 | mp-2223123 | Move all surrounding atoms within 2.958 angstrom around the center atom at index 9 by [-1.438 2.524 -1.774] angstrom in the cif file. | data_image0
_chemical_formula_structural MgTe2Mo3Se2S2
_chemical_formula_sum "Mg1 Te2 Mo3 Se2 S2"
_cell_length_a 3.342426
_cell_length_b 3.34251085
_cell_length_c 30.961906
_cell_angle_alpha 89.99973867
_cell_angle_beta 89.9999588
_cell_angle_gamma 119.99879355000002
_spa... | data_image0
_chemical_formula_structural MgTe2Mo3Se2S2
_chemical_formula_sum "Mg1 Te2 Mo3 Se2 S2"
_cell_length_a 3.342426
_cell_length_b 3.34251085
_cell_length_c 30.961906
_cell_angle_alpha 89.99973867
_cell_angle_beta 89.9999588
_cell_angle_gamma 119.99879355000002
_spa... |
MoveAroundAtomAction | f229066c-e304-4e78-a297-233c8784d5bf | mp-1202068 | Move all surrounding atoms within 3.893 angstrom around the center atom at index 36 by [ 2.604 0.231 -3.221] angstrom in the cif file. | data_image0
_chemical_formula_structural Pd2C8S8I4N16
_chemical_formula_sum "Pd2 C8 S8 I4 N16"
_cell_length_a 9.834666
_cell_length_b 8.60705372
_cell_length_c 15.214518379999998
_cell_angle_alpha 57.278849029999996
_cell_angle_beta 71.14343923
_cell_angle_gamma 55.1580721... | data_image0
_chemical_formula_structural Pd2C8S8I4N16
_chemical_formula_sum "Pd2 C8 S8 I4 N16"
_cell_length_a 9.834666
_cell_length_b 8.60705372
_cell_length_c 15.214518379999998
_cell_angle_alpha 57.278849029999996
_cell_angle_beta 71.14343923
_cell_angle_gamma 55.1580721... |
MoveAroundAtomAction | 97da4f10-4b02-411b-b937-6cc8d53750c2 | mp-1189241 | Move all surrounding atoms within 3.041 angstrom around the center atom at index 5 by [ 4.335 5.029 -0.572] angstrom in the cif file. | data_image0
_chemical_formula_structural Gd4As8Au4
_chemical_formula_sum "Gd4 As8 Au4"
_cell_length_a 4.04655659
_cell_length_b 4.04655659
_cell_length_c 20.504219
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.1389069
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Gd4As8Au4
_chemical_formula_sum "Gd4 As8 Au4"
_cell_length_a 4.04655659
_cell_length_b 4.04655659
_cell_length_c 20.504219
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.1389069
_space_group_name_H-M_alt "P 1"... |
MoveAroundAtomAction | baf4b33a-f4bb-4aec-bed5-5f06370958a3 | mp-559738 | Move all surrounding atoms within 2.995 angstrom around the center atom at index 62 by [ 1.243 -3.022 -0.811] angstrom in the cif file. | data_image0
_chemical_formula_structural Sb8S8N8Cl40
_chemical_formula_sum "Sb8 S8 N8 Cl40"
_cell_length_a 13.73769578
_cell_length_b 13.73769578
_cell_length_c 13.73769578
_cell_angle_alpha 111.41202979
_cell_angle_beta 111.41202979
_cell_angle_gamma 105.65566722000001
_... | data_image0
_chemical_formula_structural Sb8S8N8Cl40
_chemical_formula_sum "Sb8 S8 N8 Cl40"
_cell_length_a 13.73769578
_cell_length_b 13.73769578
_cell_length_c 13.73769578
_cell_angle_alpha 111.41202979
_cell_angle_beta 111.41202979
_cell_angle_gamma 105.65566722000001
_... |
MoveAroundAtomAction | f9587cf9-1a6e-45b5-8cb8-4249ce207c5b | mp-1247837 | Move all surrounding atoms within 3.169 angstrom around the center atom at index 32 by [ 0.011 0.167 -0.944] angstrom in the cif file. | data_image0
_chemical_formula_structural Al16Zn8S32
_chemical_formula_sum "Al16 Zn8 S32"
_cell_length_a 6.159869
_cell_length_b 7.399954
_cell_length_c 26.387573
_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 Al16Zn8S32
_chemical_formula_sum "Al16 Zn8 S32"
_cell_length_a 6.159869
_cell_length_b 7.399954
_cell_length_c 26.387573
_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 | 1f7debc5-2eb3-47e6-b2d4-f53686e59eb8 | mp-1217186 | Move all surrounding atoms within 2.823 angstrom around the center atom at index 7 by [ 0.512 3.834 -1.989] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti3Sn5S12
_chemical_formula_sum "Ti3 Sn5 S12"
_cell_length_a 3.61936051
_cell_length_b 9.1720841
_cell_length_c 13.81562008
_cell_angle_alpha 89.56937859
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ti3Sn5S12
_chemical_formula_sum "Ti3 Sn5 S12"
_cell_length_a 3.61936051
_cell_length_b 9.1720841
_cell_length_c 13.81562008
_cell_angle_alpha 89.56937859
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveAroundAtomAction | a3c3705f-c98c-4b7b-b28d-fbeda61eae6e | mp-561216 | Move all surrounding atoms within 2.353 angstrom around the center atom at index 4 by [ 0.732 -0.173 -1.066] angstrom in the cif file. | data_image0
_chemical_formula_structural Cu8Ge8O24
_chemical_formula_sum "Cu8 Ge8 O24"
_cell_length_a 7.73822104
_cell_length_b 7.73822104
_cell_length_c 8.71447
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 100.64867754
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Cu8Ge8O24
_chemical_formula_sum "Cu8 Ge8 O24"
_cell_length_a 7.73822104
_cell_length_b 7.73822104
_cell_length_c 8.71447
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 100.64867754
_space_group_name_H-M_alt "P 1"... |
MoveAroundAtomAction | 6a751ef9-086f-4db3-92b5-1174a0d3ac73 | mp-1029153 | Move all surrounding atoms within 2.809 angstrom around the center atom at index 8 by [ 1.682 -3.444 -2.019] angstrom in the cif file. | data_image0
_chemical_formula_structural Te2Mo2W2Se4S2
_chemical_formula_sum "Te2 Mo2 W2 Se4 S2"
_cell_length_a 3.34167077
_cell_length_b 3.34167077
_cell_length_c 38.037908
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001524
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Te2Mo2W2Se4S2
_chemical_formula_sum "Te2 Mo2 W2 Se4 S2"
_cell_length_a 3.34167077
_cell_length_b 3.34167077
_cell_length_c 38.037908
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001524
_space_group_name_H-M_... |
MoveAroundAtomAction | ce52b2aa-7571-415b-8f76-3a61ab3ee338 | mp-1245133 | Move all surrounding atoms within 3.124 angstrom around the center atom at index 49 by [-3.49 -3.411 1.353] angstrom in the cif file. | data_image0
_chemical_formula_structural Sn40O40
_chemical_formula_sum "Sn40 O40"
_cell_length_a 11.74637383
_cell_length_b 12.838853849999998
_cell_length_c 11.717428899999998
_cell_angle_alpha 89.04503959
_cell_angle_beta 92.05166865
_cell_angle_gamma 88.32496439999998
... | data_image0
_chemical_formula_structural Sn40O40
_chemical_formula_sum "Sn40 O40"
_cell_length_a 11.74637383
_cell_length_b 12.838853849999998
_cell_length_c 11.717428899999998
_cell_angle_alpha 89.04503959
_cell_angle_beta 92.05166865
_cell_angle_gamma 88.32496439999998
... |
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