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 |
|---|---|---|---|---|---|
MoveAtomAction | 6c4c2a08-f3d5-480f-9024-512c2a462cfa | mp-767746 | Move the atom at index 2 by [ 0.647 -3.622 0.114] angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Mn2Fe3O16
_chemical_formula_sum "Li12 Mn2 Fe3 O16"
_cell_length_a 5.817165
_cell_length_b 5.85858233
_cell_length_c 9.735296369999999
_cell_angle_alpha 91.61792386
_cell_angle_beta 89.71965537
_cell_angle_gamma 118.8913581400000... | data_image0
_chemical_formula_structural Li12Mn2Fe3O16
_chemical_formula_sum "Li12 Mn2 Fe3 O16"
_cell_length_a 5.817165
_cell_length_b 5.85858233
_cell_length_c 9.735296369999999
_cell_angle_alpha 91.61792386
_cell_angle_beta 89.71965537
_cell_angle_gamma 118.8913581400000... |
MoveAtomAction | 6ffe62e8-f02f-4760-834d-e2e494b00711 | mp-1200969 | Move the atom at index 10 by [-0.668 1.047 1.646] angstrom in the cif file. | data_image0
_chemical_formula_structural B12Pb12N4O40
_chemical_formula_sum "B12 Pb12 N4 O40"
_cell_length_a 8.00912257
_cell_length_b 10.36721178
_cell_length_c 11.09580079
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural B12Pb12N4O40
_chemical_formula_sum "B12 Pb12 N4 O40"
_cell_length_a 8.00912257
_cell_length_b 10.36721178
_cell_length_c 11.09580079
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveAtomAction | a6e85202-4fd5-4a54-96eb-f19c051ed7fa | mp-1197716 | Move the atom at index 4 by [ 1.16 1.187 -0.003] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba8Cu8Si16O48
_chemical_formula_sum "Ba8 Cu8 Si16 O48"
_cell_length_a 13.44587733
_cell_length_b 13.44587733
_cell_length_c 13.445877329999998
_cell_angle_alpha 135.94699827000002
_cell_angle_beta 135.94699827000002
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Ba8Cu8Si16O48
_chemical_formula_sum "Ba8 Cu8 Si16 O48"
_cell_length_a 13.44587733
_cell_length_b 13.44587733
_cell_length_c 13.445877329999998
_cell_angle_alpha 135.94699827000002
_cell_angle_beta 135.94699827000002
_cell_angle_gamma ... |
MoveAtomAction | 99efea3b-f67e-4842-9ab2-17fce50c658a | mp-753628 | Move the atom at index 11 by [3.289 2.757 2.914] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2V2F12
_chemical_formula_sum "Li2 V2 F12"
_cell_length_a 5.44742697
_cell_length_b 5.44742697
_cell_length_c 8.669945
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.90096331
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Li2V2F12
_chemical_formula_sum "Li2 V2 F12"
_cell_length_a 5.44742697
_cell_length_b 5.44742697
_cell_length_c 8.669945
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.90096331
_space_group_name_H-M_alt "P 1"
... |
MoveAtomAction | cd56c2bf-5c46-40c8-88eb-7aab86a5e871 | mp-1239137 | Move the atom at index 27 by [ 0.3 1.405 -1.315] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr8Cr8Cu8S32
_chemical_formula_sum "Zr8 Cr8 Cu8 S32"
_cell_length_a 11.760433
_cell_length_b 7.059517
_cell_length_c 12.452601
_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 Zr8Cr8Cu8S32
_chemical_formula_sum "Zr8 Cr8 Cu8 S32"
_cell_length_a 11.760433
_cell_length_b 7.059517
_cell_length_c 12.452601
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveAtomAction | 6521cc8e-f8fb-416e-8303-14c3fc8ba6ad | mp-1211877 | Move the atom at index 15 by [ 0.68 -0.683 0.174] angstrom in the cif file. | data_image0
_chemical_formula_structural K4P2H6Se2O16
_chemical_formula_sum "K4 P2 H6 Se2 O16"
_cell_length_a 7.602825
_cell_length_b 7.395724
_cell_length_c 9.70472644
_cell_angle_alpha 51.12925917
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4P2H6Se2O16
_chemical_formula_sum "K4 P2 H6 Se2 O16"
_cell_length_a 7.602825
_cell_length_b 7.395724
_cell_length_c 9.70472644
_cell_angle_alpha 51.12925917
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAtomAction | e3b48ef3-bac3-43d6-9482-3b2b920c112d | mp-555576 | Move the atom at index 2 by [-2.195 -0.047 1.551] angstrom in the cif file. | data_image0
_chemical_formula_structural K2Na2S4O14
_chemical_formula_sum "K2 Na2 S4 O14"
_cell_length_a 5.85706293
_cell_length_b 7.10730219
_cell_length_c 7.37603274
_cell_angle_alpha 100.9043664
_cell_angle_beta 90.40115408
_cell_angle_gamma 95.20157045
_space_group_na... | data_image0
_chemical_formula_structural K2Na2S4O14
_chemical_formula_sum "K2 Na2 S4 O14"
_cell_length_a 5.85706293
_cell_length_b 7.10730219
_cell_length_c 7.37603274
_cell_angle_alpha 100.9043664
_cell_angle_beta 90.40115408
_cell_angle_gamma 95.20157045
_space_group_na... |
MoveAtomAction | be23623c-dcf5-4662-a913-8e6e159add2a | mp-1113179 | Move the atom at index 5 by [1.509 3.023 0.952] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2HgBiF6
_chemical_formula_sum "Cs2 Hg1 Bi1 F6"
_cell_length_a 6.92489611
_cell_length_b 6.92489611
_cell_length_c 6.92489611
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Cs2HgBiF6
_chemical_formula_sum "Cs2 Hg1 Bi1 F6"
_cell_length_a 6.92489611
_cell_length_b 6.92489611
_cell_length_c 6.92489611
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... |
MoveAtomAction | decaae82-1340-47cf-815a-001def07d686 | mp-19140 | Move the atom at index 19 by [-4.345 1.865 -0.847] angstrom in the cif file. | data_image0
_chemical_formula_structural K12Mn4O16
_chemical_formula_sum "K12 Mn4 O16"
_cell_length_a 6.49865786
_cell_length_b 10.836143570000003
_cell_length_c 9.493722039999998
_cell_angle_alpha 67.4691507
_cell_angle_beta 89.95728003
_cell_angle_gamma 107.3793927899999... | data_image0
_chemical_formula_structural K12Mn4O16
_chemical_formula_sum "K12 Mn4 O16"
_cell_length_a 6.49865786
_cell_length_b 10.836143570000003
_cell_length_c 9.493722039999998
_cell_angle_alpha 67.4691507
_cell_angle_beta 89.95728003
_cell_angle_gamma 107.3793927899999... |
MoveAtomAction | e282575a-26bf-42f2-95c8-df14adafac26 | mp-9619 | Move the atom at index 10 by [0.991 4.299 0.752] angstrom in the cif file. | data_image0
_chemical_formula_structural ThFe4P12
_chemical_formula_sum "Th1 Fe4 P12"
_cell_length_a 6.73149237
_cell_length_b 6.73149087
_cell_length_c 6.73149244
_cell_angle_alpha 109.47121618
_cell_angle_beta 109.47121161
_cell_angle_gamma 109.47122107
_space_group_nam... | data_image0
_chemical_formula_structural ThFe4P12
_chemical_formula_sum "Th1 Fe4 P12"
_cell_length_a 6.73149237
_cell_length_b 6.73149087
_cell_length_c 6.73149244
_cell_angle_alpha 109.47121618
_cell_angle_beta 109.47121161
_cell_angle_gamma 109.47122107
_space_group_nam... |
MoveAtomAction | 97b35cf1-3bc1-4676-bfef-bd601eea71be | mp-1099764 | Move the atom at index 5 by [-2.121 -1.509 -1.031] angstrom in the cif file. | data_image0
_chemical_formula_structural K4Ta4O10
_chemical_formula_sum "K4 Ta4 O10"
_cell_length_a 9.00318401
_cell_length_b 9.00318401
_cell_length_c 9.00318401
_cell_angle_alpha 142.81336667
_cell_angle_beta 142.66744489
_cell_angle_gamma 53.71515557
_space_group_name_... | data_image0
_chemical_formula_structural K4Ta4O10
_chemical_formula_sum "K4 Ta4 O10"
_cell_length_a 9.00318401
_cell_length_b 9.00318401
_cell_length_c 9.00318401
_cell_angle_alpha 142.81336667
_cell_angle_beta 142.66744489
_cell_angle_gamma 53.71515557
_space_group_name_... |
MoveAtomAction | 33694fe1-cd89-4203-b607-17fa0e248df4 | mp-699431 | Move the atom at index 7 by [ 3.181 0.968 -2.191] angstrom in the cif file. | data_image0
_chemical_formula_structural Al2H8Se4O16
_chemical_formula_sum "Al2 H8 Se4 O16"
_cell_length_a 6.640272
_cell_length_b 7.408615
_cell_length_c 8.922044719999999
_cell_angle_alpha 54.03288984999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Al2H8Se4O16
_chemical_formula_sum "Al2 H8 Se4 O16"
_cell_length_a 6.640272
_cell_length_b 7.408615
_cell_length_c 8.922044719999999
_cell_angle_alpha 54.03288984999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
MoveAtomAction | ee3f5880-48dd-4809-bff8-4876e90bde0f | mp-1357359 | Move the atom at index 0 by [-3.516 -1.03 1.32 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4Sb4As4O20
_chemical_formula_sum "Mg4 Sb4 As4 O20"
_cell_length_a 7.267013
_cell_length_b 7.291066
_cell_length_c 8.831991
_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 Mg4Sb4As4O20
_chemical_formula_sum "Mg4 Sb4 As4 O20"
_cell_length_a 7.267013
_cell_length_b 7.291066
_cell_length_c 8.831991
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveAtomAction | b5440b3d-dacb-468f-99ce-c49f392abf85 | mp-1218770 | Move the atom at index 10 by [-3.4 2.487 0.763] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2NdSmMn4O12
_chemical_formula_sum "Sr2 Nd1 Sm1 Mn4 O12"
_cell_length_a 5.51174067
_cell_length_b 5.511740669999999
_cell_length_c 7.7975271500000005
_cell_angle_alpha 89.5560347
_cell_angle_beta 89.5560347
_cell_angle_gamma 89.502... | data_image0
_chemical_formula_structural Sr2NdSmMn4O12
_chemical_formula_sum "Sr2 Nd1 Sm1 Mn4 O12"
_cell_length_a 5.51174067
_cell_length_b 5.511740669999999
_cell_length_c 7.7975271500000005
_cell_angle_alpha 89.5560347
_cell_angle_beta 89.5560347
_cell_angle_gamma 89.502... |
MoveAtomAction | 1569e20c-9489-4e4f-aada-468c501a9dfa | mp-2219204 | Move the atom at index 11 by [-1.989 -1.152 0.587] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb2MgV2O8
_chemical_formula_sum "Tb2 Mg1 V2 O8"
_cell_length_a 6.1041527
_cell_length_b 6.1041533900000005
_cell_length_c 6.24702455
_cell_angle_alpha 105.99154206
_cell_angle_beta 105.9915478
_cell_angle_gamma 115.70602638
_space_... | data_image0
_chemical_formula_structural Tb2MgV2O8
_chemical_formula_sum "Tb2 Mg1 V2 O8"
_cell_length_a 6.1041527
_cell_length_b 6.1041533900000005
_cell_length_c 6.24702455
_cell_angle_alpha 105.99154206
_cell_angle_beta 105.9915478
_cell_angle_gamma 115.70602638
_space_... |
MoveAtomAction | 236eb785-9f05-4a7a-8f87-7b500f36a34b | mp-1201827 | Move the atom at index 9 by [ 0.516 -1.707 1.682] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs13Nb2In6As10
_chemical_formula_sum "Cs13 Nb2 In6 As10"
_cell_length_a 9.922238
_cell_length_b 9.97488215
_cell_length_c 14.2638583
_cell_angle_alpha 83.22926099
_cell_angle_beta 80.51304732
_cell_angle_gamma 64.6167565
_space_gro... | data_image0
_chemical_formula_structural Cs13Nb2In6As10
_chemical_formula_sum "Cs13 Nb2 In6 As10"
_cell_length_a 9.922238
_cell_length_b 9.97488215
_cell_length_c 14.2638583
_cell_angle_alpha 83.22926099
_cell_angle_beta 80.51304732
_cell_angle_gamma 64.6167565
_space_gro... |
MoveAtomAction | f1875e17-6acf-4a00-b0ac-b527b3557ba7 | mp-1200944 | Move the atom at index 54 by [-0.026 -1.665 1.74 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Pr20Si12N36
_chemical_formula_sum "Pr20 Si12 N36"
_cell_length_a 7.78838711
_cell_length_b 7.78838711
_cell_length_c 16.011699
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 93.78336765
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Pr20Si12N36
_chemical_formula_sum "Pr20 Si12 N36"
_cell_length_a 7.78838711
_cell_length_b 7.78838711
_cell_length_c 16.011699
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 93.78336765
_space_group_name_H-M_alt ... |
MoveAtomAction | f3ff4af2-d4b3-4132-8979-b7df5305b083 | mp-754454 | Move the atom at index 6 by [-0.974 2.122 -0.683] angstrom in the cif file. | data_image0
_chemical_formula_structural Cd2Ag4O8
_chemical_formula_sum "Cd2 Ag4 O8"
_cell_length_a 7.26728171
_cell_length_b 7.26728171
_cell_length_c 7.26728171
_cell_angle_alpha 131.12632012
_cell_angle_beta 131.12632012
_cell_angle_gamma 71.61245961
_space_group_name_... | data_image0
_chemical_formula_structural Cd2Ag4O8
_chemical_formula_sum "Cd2 Ag4 O8"
_cell_length_a 7.26728171
_cell_length_b 7.26728171
_cell_length_c 7.26728171
_cell_angle_alpha 131.12632012
_cell_angle_beta 131.12632012
_cell_angle_gamma 71.61245961
_space_group_name_... |
MoveAtomAction | 2ae2e717-4ece-4cad-8e06-fc645947c386 | mp-1205853 | Move the atom at index 5 by [-3.691e+00 2.000e-03 3.517e+00] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd4In2Au4
_chemical_formula_sum "Nd4 In2 Au4"
_cell_length_a 8.04285031
_cell_length_b 8.04285031
_cell_length_c 3.92047908
_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 Nd4In2Au4
_chemical_formula_sum "Nd4 In2 Au4"
_cell_length_a 8.04285031
_cell_length_b 8.04285031
_cell_length_c 3.92047908
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveAtomAction | a5e2f4f0-5b21-4a65-aa3e-6591ee47919d | mp-1197620 | Move the atom at index 15 by [-2.811 2.926 -1.365] angstrom in the cif file. | data_image0
_chemical_formula_structural K12As4P12Se36
_chemical_formula_sum "K12 As4 P12 Se36"
_cell_length_a 23.45433502
_cell_length_b 8.22297513
_cell_length_c 12.33400796
_cell_angle_alpha 55.90592922999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural K12As4P12Se36
_chemical_formula_sum "K12 As4 P12 Se36"
_cell_length_a 23.45433502
_cell_length_b 8.22297513
_cell_length_c 12.33400796
_cell_angle_alpha 55.90592922999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
MoveAtomAction | 600e5fa6-e670-4870-a284-662982f48afd | mp-862605 | Move the atom at index 24 by [ 0.212 -0.497 0.843] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb4Zr6CCl18
_chemical_formula_sum "Rb4 Zr6 C1 Cl18"
_cell_length_a 10.33285124
_cell_length_b 10.33285124
_cell_length_c 10.01703386
_cell_angle_alpha 77.27577493
_cell_angle_beta 77.27577493
_cell_angle_gamma 117.51322988
_space_g... | data_image0
_chemical_formula_structural Rb4Zr6CCl18
_chemical_formula_sum "Rb4 Zr6 C1 Cl18"
_cell_length_a 10.33285124
_cell_length_b 10.33285124
_cell_length_c 10.01703386
_cell_angle_alpha 77.27577493
_cell_angle_beta 77.27577493
_cell_angle_gamma 117.51322988
_space_g... |
MoveAtomAction | 5dab9ebd-9fa0-4b39-af0f-42edad4a8ffb | mp-1376805 | Move the atom at index 16 by [-0.644 -1.791 -1.529] angstrom in the cif file. | data_image0
_chemical_formula_structural Li3Fe5OF11
_chemical_formula_sum "Li3 Fe5 O1 F11"
_cell_length_a 5.256081
_cell_length_b 5.68770732
_cell_length_c 9.29113358
_cell_angle_alpha 107.28857676
_cell_angle_beta 89.09800657
_cell_angle_gamma 116.84259537
_space_group_n... | data_image0
_chemical_formula_structural Li3Fe5OF11
_chemical_formula_sum "Li3 Fe5 O1 F11"
_cell_length_a 5.256081
_cell_length_b 5.68770732
_cell_length_c 9.29113358
_cell_angle_alpha 107.28857676
_cell_angle_beta 89.09800657
_cell_angle_gamma 116.84259537
_space_group_n... |
MoveAtomAction | cbbc6fee-0d0a-41bf-be60-87b88ba700d3 | mp-600520 | Move the atom at index 5 by [-3.028 2.136 -1.483] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2Cu2H8C8O16
_chemical_formula_sum "Sr2 Cu2 H8 C8 O16"
_cell_length_a 8.964034
_cell_length_b 7.32883
_cell_length_c 7.40385088
_cell_angle_alpha 87.33660625
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sr2Cu2H8C8O16
_chemical_formula_sum "Sr2 Cu2 H8 C8 O16"
_cell_length_a 8.964034
_cell_length_b 7.32883
_cell_length_c 7.40385088
_cell_angle_alpha 87.33660625
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAtomAction | 2a70335b-4dac-4916-bb78-eb6f1228f54b | mp-1079383 | Move the atom at index 2 by [ 2.635 2.605 -2.619] angstrom in the cif file. | data_image0
_chemical_formula_structural Ce4In2Cu4
_chemical_formula_sum "Ce4 In2 Cu4"
_cell_length_a 8.380093
_cell_length_b 8.380093
_cell_length_c 3.154539
_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 Ce4In2Cu4
_chemical_formula_sum "Ce4 In2 Cu4"
_cell_length_a 8.380093
_cell_length_b 8.380093
_cell_length_c 3.154539
_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... |
MoveAtomAction | ca6bd82f-9a17-42ec-b716-1c44cb4e47ca | mp-1245832 | Move the atom at index 6 by [-1.65 -2.389 0.537] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Cu4N4
_chemical_formula_sum "Ca4 Cu4 N4"
_cell_length_a 8.91002794
_cell_length_b 3.83720965
_cell_length_c 6.75468884
_cell_angle_alpha 89.99999708
_cell_angle_beta 110.05152432999999
_cell_angle_gamma 77.56504692
_space_group_... | data_image0
_chemical_formula_structural Ca4Cu4N4
_chemical_formula_sum "Ca4 Cu4 N4"
_cell_length_a 8.91002794
_cell_length_b 3.83720965
_cell_length_c 6.75468884
_cell_angle_alpha 89.99999708
_cell_angle_beta 110.05152432999999
_cell_angle_gamma 77.56504692
_space_group_... |
MoveAtomAction | 1207194f-3195-4f72-a56c-964ed4b25cfd | mp-1210244 | Move the atom at index 5 by [ 2.156 -0.608 0.694] angstrom in the cif file. | data_image0
_chemical_formula_structural Pr46Mg8Pt14
_chemical_formula_sum "Pr46 Mg8 Pt14"
_cell_length_a 10.22769297
_cell_length_b 10.227692969999998
_cell_length_c 23.10771016
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000229
_space_group_name... | data_image0
_chemical_formula_structural Pr46Mg8Pt14
_chemical_formula_sum "Pr46 Mg8 Pt14"
_cell_length_a 10.22769297
_cell_length_b 10.227692969999998
_cell_length_c 23.10771016
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000229
_space_group_name... |
MoveAtomAction | f275b282-e64e-4372-9897-723a365e0cf3 | mp-1215754 | Move the atom at index 14 by [-1.475 2.719 -0.787] 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-... |
MoveAtomAction | 0d3662b0-2cdc-4adc-b7b2-07e29940347e | mp-1195048 | Move the atom at index 38 by [-0.176 -2.77 -0.74 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2Ca2Mn6Si10H2O30
_chemical_formula_sum "Na2 Ca2 Mn6 Si10 H2 O30"
_cell_length_a 6.88200997
_cell_length_b 7.80432588
_cell_length_c 12.1280066
_cell_angle_alpha 110.93483247
_cell_angle_beta 84.50278834
_cell_angle_gamma 94.318122... | data_image0
_chemical_formula_structural Na2Ca2Mn6Si10H2O30
_chemical_formula_sum "Na2 Ca2 Mn6 Si10 H2 O30"
_cell_length_a 6.88200997
_cell_length_b 7.80432588
_cell_length_c 12.1280066
_cell_angle_alpha 110.93483247
_cell_angle_beta 84.50278834
_cell_angle_gamma 94.318122... |
MoveAtomAction | 4278c3b1-7c32-456e-991c-c018d78224ea | mp-2224471 | Move the atom at index 8 by [1.007 4.463 2.404] angstrom in the cif file. | data_image0
_chemical_formula_structural MgFe4P12O36
_chemical_formula_sum "Mg1 Fe4 P12 O36"
_cell_length_a 8.59775702
_cell_length_b 8.67828602
_cell_length_c 8.84301149
_cell_angle_alpha 89.70753084
_cell_angle_beta 90.84395481
_cell_angle_gamma 90.52704608
_space_group... | data_image0
_chemical_formula_structural MgFe4P12O36
_chemical_formula_sum "Mg1 Fe4 P12 O36"
_cell_length_a 8.59775702
_cell_length_b 8.67828602
_cell_length_c 8.84301149
_cell_angle_alpha 89.70753084
_cell_angle_beta 90.84395481
_cell_angle_gamma 90.52704608
_space_group... |
MoveAtomAction | 7e7e042c-3f02-4e0f-ab50-bb1a53c1a794 | mp-1226598 | Move the atom at index 7 by [-0.528 2.524 -1.063] angstrom in the cif file. | data_image0
_chemical_formula_structural CeTh3O8
_chemical_formula_sum "Ce1 Th3 O8"
_cell_length_a 13.02289748
_cell_length_b 13.02289748
_cell_length_c 13.02289643
_cell_angle_alpha 17.38526101000004
_cell_angle_beta 17.38526101
_cell_angle_gamma 17.385260550000027
_spac... | data_image0
_chemical_formula_structural CeTh3O8
_chemical_formula_sum "Ce1 Th3 O8"
_cell_length_a 13.02289748
_cell_length_b 13.02289748
_cell_length_c 13.02289643
_cell_angle_alpha 17.38526101000004
_cell_angle_beta 17.38526101
_cell_angle_gamma 17.385260550000027
_spac... |
MoveAtomAction | c42cf331-3a0c-4568-841a-75825dad6ade | mp-1180291 | Move the atom at index 18 by [ 0.992 -0.062 -1.555] angstrom in the cif file. | data_image0
_chemical_formula_structural MnFe2P2O18
_chemical_formula_sum "Mn1 Fe2 P2 O18"
_cell_length_a 5.325432
_cell_length_b 7.22015907
_cell_length_c 10.10152247
_cell_angle_alpha 96.54352773
_cell_angle_beta 99.75977914
_cell_angle_gamma 110.21982185
_space_group_n... | data_image0
_chemical_formula_structural MnFe2P2O18
_chemical_formula_sum "Mn1 Fe2 P2 O18"
_cell_length_a 5.325432
_cell_length_b 7.22015907
_cell_length_c 10.10152247
_cell_angle_alpha 96.54352773
_cell_angle_beta 99.75977914
_cell_angle_gamma 110.21982185
_space_group_n... |
MoveAtomAction | e9331bf1-62df-455b-9d3a-3ea790834383 | mp-1096906 | Move the atom at index 1 by [ 0.052 -3.001 1.155] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr16N32
_chemical_formula_sum "Cr16 N32"
_cell_length_a 8.26778468
_cell_length_b 12.517896580000002
_cell_length_c 12.51789676
_cell_angle_alpha 72.56061355
_cell_angle_beta 80.63089274
_cell_angle_gamma 80.63089116
_space_group_n... | data_image0
_chemical_formula_structural Cr16N32
_chemical_formula_sum "Cr16 N32"
_cell_length_a 8.26778468
_cell_length_b 12.517896580000002
_cell_length_c 12.51789676
_cell_angle_alpha 72.56061355
_cell_angle_beta 80.63089274
_cell_angle_gamma 80.63089116
_space_group_n... |
MoveAtomAction | 0d6421af-e136-4606-b216-d0a7fb757a17 | mp-754319 | Move the atom at index 11 by [-0.094 -0.298 0.122] angstrom in the cif file. | data_image0
_chemical_formula_structural Li3NbNi4O8
_chemical_formula_sum "Li3 Nb1 Ni4 O8"
_cell_length_a 5.968496
_cell_length_b 5.967901590000001
_cell_length_c 5.975774150000001
_cell_angle_alpha 88.89278859
_cell_angle_beta 119.40810863
_cell_angle_gamma 60.71838540000... | data_image0
_chemical_formula_structural Li3NbNi4O8
_chemical_formula_sum "Li3 Nb1 Ni4 O8"
_cell_length_a 5.968496
_cell_length_b 5.967901590000001
_cell_length_c 5.975774150000001
_cell_angle_alpha 88.89278859
_cell_angle_beta 119.40810863
_cell_angle_gamma 60.71838540000... |
MoveAtomAction | 922fc2bb-6082-496c-b566-35c04a1b8c54 | mp-1195192 | Move the atom at index 26 by [-2.904 0.945 -0.978] angstrom in the cif file. | data_image0
_chemical_formula_structural Na3Tb3H6S6O27
_chemical_formula_sum "Na3 Tb3 H6 S6 O27"
_cell_length_a 6.980523
_cell_length_b 6.98052253
_cell_length_c 12.797699
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999747000001
_space_group_name_... | data_image0
_chemical_formula_structural Na3Tb3H6S6O27
_chemical_formula_sum "Na3 Tb3 H6 S6 O27"
_cell_length_a 6.980523
_cell_length_b 6.98052253
_cell_length_c 12.797699
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999747000001
_space_group_name_... |
MoveAtomAction | 7784926f-998c-4bca-a46c-4c21a5dbe0a6 | mp-1247343 | Move the atom at index 23 by [2.111 0.617 1.011] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca10Ti4N12
_chemical_formula_sum "Ca10 Ti4 N12"
_cell_length_a 6.10657579
_cell_length_b 6.55391325
_cell_length_c 12.8961882
_cell_angle_alpha 90.00000041000001
_cell_angle_beta 101.44650745
_cell_angle_gamma 122.45435244
_space_g... | data_image0
_chemical_formula_structural Ca10Ti4N12
_chemical_formula_sum "Ca10 Ti4 N12"
_cell_length_a 6.10657579
_cell_length_b 6.55391325
_cell_length_c 12.8961882
_cell_angle_alpha 90.00000041000001
_cell_angle_beta 101.44650745
_cell_angle_gamma 122.45435244
_space_g... |
MoveAtomAction | 794e8102-0add-49b7-8948-b68826508c46 | mp-645158 | Move the atom at index 9 by [0.48 1.153 0.564] angstrom in the cif file. | data_image0
_chemical_formula_structural La4Mn4O12
_chemical_formula_sum "La4 Mn4 O12"
_cell_length_a 10.297857
_cell_length_b 5.674393
_cell_length_c 6.043189749999999
_cell_angle_alpha 70.70900253
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La4Mn4O12
_chemical_formula_sum "La4 Mn4 O12"
_cell_length_a 10.297857
_cell_length_b 5.674393
_cell_length_c 6.043189749999999
_cell_angle_alpha 70.70900253
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAtomAction | 0a1ba798-ddcf-4704-885b-ebaa435f890a | mp-1226695 | Move the atom at index 3 by [ 1.943 1.949 -3.913] angstrom in the cif file. | data_image0
_chemical_formula_structural Co2H30Br4N12O4
_chemical_formula_sum "Co2 H30 Br4 N12 O4"
_cell_length_a 6.9257375
_cell_length_b 6.84391893
_cell_length_c 11.04345546
_cell_angle_alpha 86.0682391
_cell_angle_beta 85.75641914
_cell_angle_gamma 80.75787772
_space_... | data_image0
_chemical_formula_structural Co2H30Br4N12O4
_chemical_formula_sum "Co2 H30 Br4 N12 O4"
_cell_length_a 6.9257375
_cell_length_b 6.84391893
_cell_length_c 11.04345546
_cell_angle_alpha 86.0682391
_cell_angle_beta 85.75641914
_cell_angle_gamma 80.75787772
_space_... |
MoveAtomAction | a687bf8b-1597-4eea-8a71-0878a25284d1 | mp-1028731 | Move the atom at index 6 by [-1.517 1.751 -1.238] angstrom in the cif file. | data_image0
_chemical_formula_structural Te2W4Se6
_chemical_formula_sum "Te2 W4 Se6"
_cell_length_a 3.38041365
_cell_length_b 3.3804136500000004
_cell_length_c 38.560445
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999322999999
_space_group_name_H-... | data_image0
_chemical_formula_structural Te2W4Se6
_chemical_formula_sum "Te2 W4 Se6"
_cell_length_a 3.38041365
_cell_length_b 3.3804136500000004
_cell_length_c 38.560445
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999322999999
_space_group_name_H-... |
MoveAtomAction | 63bf79c3-84de-4371-b9f8-18a7f1d431ac | mp-1239127 | Move the atom at index 24 by [ 0.141 -1.044 0.855] angstrom in the cif file. | data_image0
_chemical_formula_structural Hf4Cr4Cu4S16
_chemical_formula_sum "Hf4 Cr4 Cu4 S16"
_cell_length_a 6.993105
_cell_length_b 7.607061
_cell_length_c 10.262212
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Hf4Cr4Cu4S16
_chemical_formula_sum "Hf4 Cr4 Cu4 S16"
_cell_length_a 6.993105
_cell_length_b 7.607061
_cell_length_c 10.262212
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
MoveAtomAction | 77001ce8-7c01-4b8c-840f-e631dc287f0f | mp-997587 | Move the atom at index 39 by [-0.557 1.097 -0.518] angstrom in the cif file. | data_image0
_chemical_formula_structural La7ScAl8O24
_chemical_formula_sum "La7 Sc1 Al8 O24"
_cell_length_a 7.570756
_cell_length_b 7.570756
_cell_length_c 7.570756
_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 La7ScAl8O24
_chemical_formula_sum "La7 Sc1 Al8 O24"
_cell_length_a 7.570756
_cell_length_b 7.570756
_cell_length_c 7.570756
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveAtomAction | 4b051fd8-ed0f-47c7-9cba-d7ce86a03bd9 | mp-23013 | Move the atom at index 10 by [ 0.429 -0.534 -0.998] angstrom in the cif file. | data_image0
_chemical_formula_structural U4Cl8O8
_chemical_formula_sum "U4 Cl8 O8"
_cell_length_a 5.76341914
_cell_length_b 8.44405204
_cell_length_c 8.73800116
_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 U4Cl8O8
_chemical_formula_sum "U4 Cl8 O8"
_cell_length_a 5.76341914
_cell_length_b 8.44405204
_cell_length_c 8.73800116
_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... |
MoveAtomAction | cbfd0b85-1ea4-4672-b50c-cfaedaa87cf8 | mp-1103810 | Move the atom at index 2 by [ 2.407 0.232 -1.874] angstrom in the cif file. | data_image0
_chemical_formula_structural Y6Al2C6
_chemical_formula_sum "Y6 Al2 C6"
_cell_length_a 3.57785812
_cell_length_b 7.05402041
_cell_length_c 9.96492032
_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 Y6Al2C6
_chemical_formula_sum "Y6 Al2 C6"
_cell_length_a 3.57785812
_cell_length_b 7.05402041
_cell_length_c 9.96492032
_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... |
MoveAtomAction | b8eeeb24-fa6c-41af-a30b-7622e8a14dbe | mp-1210328 | Move the atom at index 8 by [ 0.855 3.629 -2.6 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ni2P4O20
_chemical_formula_sum "Ni2 P4 O20"
_cell_length_a 9.553455
_cell_length_b 5.181696
_cell_length_c 8.57377695
_cell_angle_alpha 56.20746677999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ni2P4O20
_chemical_formula_sum "Ni2 P4 O20"
_cell_length_a 9.553455
_cell_length_b 5.181696
_cell_length_c 8.57377695
_cell_angle_alpha 56.20746677999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveAtomAction | 91aadabd-a114-4b49-a7bf-b5e397c55d90 | mp-759150 | Move the atom at index 8 by [ 0.071 -2.286 -2.603] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V4O4F8
_chemical_formula_sum "Li4 V4 O4 F8"
_cell_length_a 6.62309501
_cell_length_b 6.62309501
_cell_length_c 5.33985558
_cell_angle_alpha 83.85118766
_cell_angle_beta 83.85118766
_cell_angle_gamma 84.91793557999999
_space_grou... | data_image0
_chemical_formula_structural Li4V4O4F8
_chemical_formula_sum "Li4 V4 O4 F8"
_cell_length_a 6.62309501
_cell_length_b 6.62309501
_cell_length_c 5.33985558
_cell_angle_alpha 83.85118766
_cell_angle_beta 83.85118766
_cell_angle_gamma 84.91793557999999
_space_grou... |
MoveAtomAction | fa4d944b-1ded-421e-882f-8c914adac888 | mp-1017159 | Move the atom at index 9 by [-0.909 0.584 -3.657] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2Mg12C2
_chemical_formula_sum "Rb2 Mg12 C2"
_cell_length_a 3.283259
_cell_length_b 8.311256
_cell_length_c 14.580709
_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 Rb2Mg12C2
_chemical_formula_sum "Rb2 Mg12 C2"
_cell_length_a 3.283259
_cell_length_b 8.311256
_cell_length_c 14.580709
_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... |
MoveAtomAction | 4729fdb6-a194-46f3-af23-c3fffb64aeed | mp-2240405 | Move the atom at index 3 by [-2.961 4.473 1.97 ] angstrom in the cif file. | data_image0
_chemical_formula_structural MgMn2Ag2O6
_chemical_formula_sum "Mg1 Mn2 Ag2 O6"
_cell_length_a 5.30224908
_cell_length_b 6.05280598
_cell_length_c 5.30275531
_cell_angle_alpha 115.98650708
_cell_angle_beta 59.99373689000001
_cell_angle_gamma 115.99553636
_space... | data_image0
_chemical_formula_structural MgMn2Ag2O6
_chemical_formula_sum "Mg1 Mn2 Ag2 O6"
_cell_length_a 5.30224908
_cell_length_b 6.05280598
_cell_length_c 5.30275531
_cell_angle_alpha 115.98650708
_cell_angle_beta 59.99373689000001
_cell_angle_gamma 115.99553636
_space... |
MoveAtomAction | f6655384-5e79-4368-b09d-d3353716a051 | mp-1289597 | Move the atom at index 3 by [-0.676 1.206 -3.164] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn4B4O12
_chemical_formula_sum "Mn4 B4 O12"
_cell_length_a 4.68409486
_cell_length_b 5.45749631
_cell_length_c 7.34317133
_cell_angle_alpha 75.2461238
_cell_angle_beta 86.0185133
_cell_angle_gamma 87.58288049
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Mn4B4O12
_chemical_formula_sum "Mn4 B4 O12"
_cell_length_a 4.68409486
_cell_length_b 5.45749631
_cell_length_c 7.34317133
_cell_angle_alpha 75.2461238
_cell_angle_beta 86.0185133
_cell_angle_gamma 87.58288049
_space_group_name_H-M_... |
MoveAtomAction | 6480cdab-c157-4ae0-af6b-8e10cb617bc4 | mp-1208931 | Move the atom at index 14 by [-1.551 0.343 1.096] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2ErCu2Bi2O8
_chemical_formula_sum "Sr2 Er1 Cu2 Bi2 O8"
_cell_length_a 15.46020447
_cell_length_b 15.460204469999999
_cell_length_c 15.46020447
_cell_angle_alpha 165.95452037
_cell_angle_beta 165.95452037
_cell_angle_gamma 19.91368... | data_image0
_chemical_formula_structural Sr2ErCu2Bi2O8
_chemical_formula_sum "Sr2 Er1 Cu2 Bi2 O8"
_cell_length_a 15.46020447
_cell_length_b 15.460204469999999
_cell_length_c 15.46020447
_cell_angle_alpha 165.95452037
_cell_angle_beta 165.95452037
_cell_angle_gamma 19.91368... |
MoveAtomAction | f7e1d104-bc32-4f08-b369-a2a2c79429be | mp-1520897 | Move the atom at index 7 by [-2.118 -0.717 -0.907] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2CrBiO6
_chemical_formula_sum "Sr2 Cr1 Bi1 O6"
_cell_length_a 5.78690587
_cell_length_b 5.78690587
_cell_length_c 5.78690587
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Sr2CrBiO6
_chemical_formula_sum "Sr2 Cr1 Bi1 O6"
_cell_length_a 5.78690587
_cell_length_b 5.78690587
_cell_length_c 5.78690587
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... |
MoveAtomAction | aa2f6a65-0e5f-40ed-87b9-94c433633189 | mp-1106214 | Move the atom at index 9 by [-1.351 -1.103 -0.574] angstrom in the cif file. | data_image0
_chemical_formula_structural Lu6Ge6Pd6
_chemical_formula_sum "Lu6 Ge6 Pd6"
_cell_length_a 11.2242062
_cell_length_b 11.2242062
_cell_length_c 11.2242062
_cell_angle_alpha 157.54988981
_cell_angle_beta 140.37210418999996
_cell_angle_gamma 46.01936493
_space_gro... | data_image0
_chemical_formula_structural Lu6Ge6Pd6
_chemical_formula_sum "Lu6 Ge6 Pd6"
_cell_length_a 11.2242062
_cell_length_b 11.2242062
_cell_length_c 11.2242062
_cell_angle_alpha 157.54988981
_cell_angle_beta 140.37210418999996
_cell_angle_gamma 46.01936493
_space_gro... |
MoveAtomAction | 35259566-6256-4ba8-b3b1-4308906ec54d | mp-1076627 | Move the atom at index 0 by [-0.946 -2.335 1.437] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr8Ti4Mn4O20
_chemical_formula_sum "Sr8 Ti4 Mn4 O20"
_cell_length_a 5.62529
_cell_length_b 8.92492134
_cell_length_c 11.403602
_cell_angle_alpha 108.62765674999999
_cell_angle_beta 90.00036421
_cell_angle_gamma 108.36900562
_space_... | data_image0
_chemical_formula_structural Sr8Ti4Mn4O20
_chemical_formula_sum "Sr8 Ti4 Mn4 O20"
_cell_length_a 5.62529
_cell_length_b 8.92492134
_cell_length_c 11.403602
_cell_angle_alpha 108.62765674999999
_cell_angle_beta 90.00036421
_cell_angle_gamma 108.36900562
_space_... |
MoveAtomAction | 2b137850-dbf6-4f31-b85c-11c20828ecd5 | mp-1027627 | Move the atom at index 6 by [-3.407 3.965 -1.457] angstrom in the cif file. | data_image0
_chemical_formula_structural Te2Mo4Se2S4
_chemical_formula_sum "Te2 Mo4 Se2 S4"
_cell_length_a 3.30911865
_cell_length_b 3.30911865
_cell_length_c 37.58381
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001295
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Te2Mo4Se2S4
_chemical_formula_sum "Te2 Mo4 Se2 S4"
_cell_length_a 3.30911865
_cell_length_b 3.30911865
_cell_length_c 37.58381
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001295
_space_group_name_H-M_alt ... |
MoveAtomAction | 4fd0fe9e-fca2-471c-86ea-d8b2af82678e | mp-1236250 | Move the atom at index 8 by [ 1.783 -3.32 -0.693] angstrom in the cif file. | data_image0
_chemical_formula_structural LiCo5SbO8
_chemical_formula_sum "Li1 Co5 Sb1 O8"
_cell_length_a 6.32081318
_cell_length_b 5.95944951
_cell_length_c 5.958533000000001
_cell_angle_alpha 60.00407588000001
_cell_angle_beta 61.87965133
_cell_angle_gamma 61.95931534
_s... | data_image0
_chemical_formula_structural LiCo5SbO8
_chemical_formula_sum "Li1 Co5 Sb1 O8"
_cell_length_a 6.32081318
_cell_length_b 5.95944951
_cell_length_c 5.958533000000001
_cell_angle_alpha 60.00407588000001
_cell_angle_beta 61.87965133
_cell_angle_gamma 61.95931534
_s... |
MoveAtomAction | d3e13a2c-a1db-438a-a620-37d6aae9940e | mp-734319 | Move the atom at index 38 by [-3.55 0.254 -0.762] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb4Fe4H16Cl12O8
_chemical_formula_sum "Rb4 Fe4 H16 Cl12 O8"
_cell_length_a 7.040363
_cell_length_b 8.988614
_cell_length_c 11.436915
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Rb4Fe4H16Cl12O8
_chemical_formula_sum "Rb4 Fe4 H16 Cl12 O8"
_cell_length_a 7.040363
_cell_length_b 8.988614
_cell_length_c 11.436915
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveAtomAction | bd88389b-df23-49d6-a87e-09300d08106e | mp-780891 | Move the atom at index 5 by [-2.446 0.032 -2.693] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe8O14F2
_chemical_formula_sum "Fe8 O14 F2"
_cell_length_a 7.19630577
_cell_length_b 7.19630577
_cell_length_c 5.519081169999999
_cell_angle_alpha 71.83725514
_cell_angle_beta 71.83725514
_cell_angle_gamma 80.10399085
_space_group_... | data_image0
_chemical_formula_structural Fe8O14F2
_chemical_formula_sum "Fe8 O14 F2"
_cell_length_a 7.19630577
_cell_length_b 7.19630577
_cell_length_c 5.519081169999999
_cell_angle_alpha 71.83725514
_cell_angle_beta 71.83725514
_cell_angle_gamma 80.10399085
_space_group_... |
MoveAtomAction | d8889edd-38a3-4034-99e5-fbdb0df7ac03 | mp-1201935 | Move the atom at index 6 by [-2.506 0.402 -0.913] angstrom in the cif file. | data_image0
_chemical_formula_structural K8P8H16O28
_chemical_formula_sum "K8 P8 H16 O28"
_cell_length_a 7.836889
_cell_length_b 10.18344283
_cell_length_c 10.37658468
_cell_angle_alpha 93.40981959000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural K8P8H16O28
_chemical_formula_sum "K8 P8 H16 O28"
_cell_length_a 7.836889
_cell_length_b 10.18344283
_cell_length_c 10.37658468
_cell_angle_alpha 93.40981959000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
MoveAtomAction | 8c90998a-aa54-4103-915a-c89dfdeb87da | mp-1246907 | Move the atom at index 8 by [ 1.835 -0.428 -1.662] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr6Co4N8
_chemical_formula_sum "Sr6 Co4 N8"
_cell_length_a 7.06809409
_cell_length_b 8.63697807
_cell_length_c 5.5587382
_cell_angle_alpha 89.99999805
_cell_angle_beta 93.41871608999999
_cell_angle_gamma 127.66064499000001
_space_g... | data_image0
_chemical_formula_structural Sr6Co4N8
_chemical_formula_sum "Sr6 Co4 N8"
_cell_length_a 7.06809409
_cell_length_b 8.63697807
_cell_length_c 5.5587382
_cell_angle_alpha 89.99999805
_cell_angle_beta 93.41871608999999
_cell_angle_gamma 127.66064499000001
_space_g... |
MoveAtomAction | da894e74-0524-43f3-9bdd-74d9504c2347 | mp-1180875 | Move the atom at index 19 by [-0.448 -0.866 -0.51 ] 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"
... |
MoveAtomAction | bf667e15-ed9a-442a-a32d-065d2485c923 | mp-1247342 | Move the atom at index 23 by [-2.06 -2.744 -0.105] angstrom in the cif file. | data_image0
_chemical_formula_structural Li24V8N16
_chemical_formula_sum "Li24 V8 N16"
_cell_length_a 8.34245324
_cell_length_b 9.63303509
_cell_length_c 9.63303547
_cell_angle_alpha 90.00000096
_cell_angle_beta 125.26438879
_cell_angle_gamma 54.73560962
_space_group_name... | data_image0
_chemical_formula_structural Li24V8N16
_chemical_formula_sum "Li24 V8 N16"
_cell_length_a 8.34245324
_cell_length_b 9.63303509
_cell_length_c 9.63303547
_cell_angle_alpha 90.00000096
_cell_angle_beta 125.26438879
_cell_angle_gamma 54.73560962
_space_group_name... |
MoveAtomAction | 48c79a21-d368-4e37-9ba1-f84a5b7b87dd | mp-705551 | Move the atom at index 21 by [-0.77 -4.067 2.877] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe15O16
_chemical_formula_sum "Fe15 O16"
_cell_length_a 6.247103
_cell_length_b 6.26532232
_cell_length_c 8.76823809
_cell_angle_alpha 90.37687825000002
_cell_angle_beta 90.44855667
_cell_angle_gamma 90.08758079
_space_group_name_H... | data_image0
_chemical_formula_structural Fe15O16
_chemical_formula_sum "Fe15 O16"
_cell_length_a 6.247103
_cell_length_b 6.26532232
_cell_length_c 8.76823809
_cell_angle_alpha 90.37687825000002
_cell_angle_beta 90.44855667
_cell_angle_gamma 90.08758079
_space_group_name_H... |
MoveAtomAction | 65703b24-1aaf-4228-833e-fc656e5bbbeb | mp-580327 | Move the atom at index 14 by [-2.942 -0.092 -1.766] angstrom in the cif file. | data_image0
_chemical_formula_structural Gd6Al4Ni12
_chemical_formula_sum "Gd6 Al4 Ni12"
_cell_length_a 7.7155987
_cell_length_b 7.71560592
_cell_length_c 7.71561356
_cell_angle_alpha 109.44377817
_cell_angle_beta 109.4436389
_cell_angle_gamma 109.52528551000002
_space_gr... | data_image0
_chemical_formula_structural Gd6Al4Ni12
_chemical_formula_sum "Gd6 Al4 Ni12"
_cell_length_a 7.7155987
_cell_length_b 7.71560592
_cell_length_c 7.71561356
_cell_angle_alpha 109.44377817
_cell_angle_beta 109.4436389
_cell_angle_gamma 109.52528551000002
_space_gr... |
MoveAtomAction | 6d755222-cb1e-474a-be8b-162f3ddbd4b3 | mp-570469 | Move the atom at index 1 by [-0.653 -2.215 -4.019] angstrom in the cif file. | data_image0
_chemical_formula_structural Pr10Tl6
_chemical_formula_sum "Pr10 Tl6"
_cell_length_a 6.36229245
_cell_length_b 9.514886500000001
_cell_length_c 9.51492551
_cell_angle_alpha 83.59895496
_cell_angle_beta 70.46806593
_cell_angle_gamma 70.46798067
_space_group_nam... | data_image0
_chemical_formula_structural Pr10Tl6
_chemical_formula_sum "Pr10 Tl6"
_cell_length_a 6.36229245
_cell_length_b 9.514886500000001
_cell_length_c 9.51492551
_cell_angle_alpha 83.59895496
_cell_angle_beta 70.46806593
_cell_angle_gamma 70.46798067
_space_group_nam... |
MoveAtomAction | d100b67b-e117-46a2-8d44-fd5afdd9a5d2 | mp-755245 | Move the atom at index 6 by [ 0.772 -2.217 4.05 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Cu2P2O8
_chemical_formula_sum "Li2 Cu2 P2 O8"
_cell_length_a 4.90395103
_cell_length_b 4.90395103
_cell_length_c 6.273712
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 110.44416986
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li2Cu2P2O8
_chemical_formula_sum "Li2 Cu2 P2 O8"
_cell_length_a 4.90395103
_cell_length_b 4.90395103
_cell_length_c 6.273712
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 110.44416986
_space_group_name_H-M_alt "... |
MoveAtomAction | 826f57a9-e1c4-4397-b5be-f178b918b8c8 | mp-1523147 | Move the atom at index 4 by [ 0.131 -1.017 2.797] 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... |
MoveAtomAction | f28097ea-b346-4307-a132-7cb533bd009c | mp-1037735 | Move the atom at index 27 by [ 5.256 -0.093 -2.745] angstrom in the cif file. | data_image0
_chemical_formula_structural YMg30VO32
_chemical_formula_sum "Y1 Mg30 V1 O32"
_cell_length_a 8.622251
_cell_length_b 8.622251
_cell_length_c 8.636474
_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 YMg30VO32
_chemical_formula_sum "Y1 Mg30 V1 O32"
_cell_length_a 8.622251
_cell_length_b 8.622251
_cell_length_c 8.636474
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
MoveAtomAction | 5f76880b-62ce-46c2-94e7-0a0ff0edeef3 | mp-1217721 | Move the atom at index 0 by [ 3.576 -1.544 -2.591] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb6Al8Fe4
_chemical_formula_sum "Tb6 Al8 Fe4"
_cell_length_a 5.41548454
_cell_length_b 5.42113991
_cell_length_c 13.43452047
_cell_angle_alpha 90.33912397
_cell_angle_beta 89.20829155000001
_cell_angle_gamma 119.18295097
_space_gro... | data_image0
_chemical_formula_structural Tb6Al8Fe4
_chemical_formula_sum "Tb6 Al8 Fe4"
_cell_length_a 5.41548454
_cell_length_b 5.42113991
_cell_length_c 13.43452047
_cell_angle_alpha 90.33912397
_cell_angle_beta 89.20829155000001
_cell_angle_gamma 119.18295097
_space_gro... |
MoveAtomAction | a72f557c-d4de-4e8c-bffd-224c00f39ec4 | mp-1096957 | Move the atom at index 28 by [-4.562 -0.306 0.124] 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... |
MoveAtomAction | 75cb17ca-6397-439d-a0d0-d83d2322f366 | mp-558751 | Move the atom at index 15 by [-1.439 1.82 -0.804] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca8Bi16O32
_chemical_formula_sum "Ca8 Bi16 O32"
_cell_length_a 10.19674131
_cell_length_b 10.19674131
_cell_length_c 12.414665430000001
_cell_angle_alpha 61.70359441
_cell_angle_beta 61.70359441
_cell_angle_gamma 68.83986534
_space... | data_image0
_chemical_formula_structural Ca8Bi16O32
_chemical_formula_sum "Ca8 Bi16 O32"
_cell_length_a 10.19674131
_cell_length_b 10.19674131
_cell_length_c 12.414665430000001
_cell_angle_alpha 61.70359441
_cell_angle_beta 61.70359441
_cell_angle_gamma 68.83986534
_space... |
MoveAtomAction | 002e77b4-3535-4975-8824-857894d296b5 | mp-1185731 | Move the atom at index 15 by [ 1.495 -3.482 0.395] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg16ScAl12
_chemical_formula_sum "Mg16 Sc1 Al12"
_cell_length_a 9.16029477
_cell_length_b 9.16029477
_cell_length_c 9.01834046
_cell_angle_alpha 70.75163881999998
_cell_angle_beta 70.75163881999998
_cell_angle_gamma 109.592206500000... | data_image0
_chemical_formula_structural Mg16ScAl12
_chemical_formula_sum "Mg16 Sc1 Al12"
_cell_length_a 9.16029477
_cell_length_b 9.16029477
_cell_length_c 9.01834046
_cell_angle_alpha 70.75163881999998
_cell_angle_beta 70.75163881999998
_cell_angle_gamma 109.592206500000... |
MoveAtomAction | 77b0fba1-5cf4-4fcc-8559-149e8c3d56ae | mp-6488 | Move the atom at index 39 by [ 3.586 -1.52 -2.914] angstrom in the cif file. | data_image0
_chemical_formula_structural K8Ti8As8O40
_chemical_formula_sum "K8 Ti8 As8 O40"
_cell_length_a 6.680827
_cell_length_b 10.926278
_cell_length_c 13.349936
_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 K8Ti8As8O40
_chemical_formula_sum "K8 Ti8 As8 O40"
_cell_length_a 6.680827
_cell_length_b 10.926278
_cell_length_c 13.349936
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveAtomAction | f867d042-6fc6-4efd-abae-eb67fdd330f6 | mp-1198520 | Move the atom at index 32 by [-1.134 1.602 -3.629] angstrom in the cif file. | data_image0
_chemical_formula_structural Cu8S2O24
_chemical_formula_sum "Cu8 S2 O24"
_cell_length_a 5.194531
_cell_length_b 5.88042304
_cell_length_c 14.122911279999999
_cell_angle_alpha 93.28651424
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cu8S2O24
_chemical_formula_sum "Cu8 S2 O24"
_cell_length_a 5.194531
_cell_length_b 5.88042304
_cell_length_c 14.122911279999999
_cell_angle_alpha 93.28651424
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAtomAction | 1c08a5d4-1b01-4d0c-9f84-9adc5d0ffdb1 | mp-757107 | Move the atom at index 20 by [-0.589 -3.343 0.411] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Fe4Si4O14
_chemical_formula_sum "Li4 Fe4 Si4 O14"
_cell_length_a 4.93703652
_cell_length_b 13.34065991
_cell_length_c 4.9369259
_cell_angle_alpha 90.04725306
_cell_angle_beta 61.83299907
_cell_angle_gamma 89.92760327000002
_spac... | data_image0
_chemical_formula_structural Li4Fe4Si4O14
_chemical_formula_sum "Li4 Fe4 Si4 O14"
_cell_length_a 4.93703652
_cell_length_b 13.34065991
_cell_length_c 4.9369259
_cell_angle_alpha 90.04725306
_cell_angle_beta 61.83299907
_cell_angle_gamma 89.92760327000002
_spac... |
MoveAtomAction | 07ed75e3-000d-4393-b575-fbeff5eafaaf | mp-1106293 | Move the atom at index 3 by [-1.756 -1.83 1.749] angstrom in the cif file. | data_image0
_chemical_formula_structural Eu4Zr4O12
_chemical_formula_sum "Eu4 Zr4 O12"
_cell_length_a 5.74546581
_cell_length_b 5.84474033
_cell_length_c 8.1659234
_cell_angle_alpha 90.0000538
_cell_angle_beta 90.0001131
_cell_angle_gamma 90.00000107
_space_group_name_H-M... | data_image0
_chemical_formula_structural Eu4Zr4O12
_chemical_formula_sum "Eu4 Zr4 O12"
_cell_length_a 5.74546581
_cell_length_b 5.84474033
_cell_length_c 8.1659234
_cell_angle_alpha 90.0000538
_cell_angle_beta 90.0001131
_cell_angle_gamma 90.00000107
_space_group_name_H-M... |
MoveAtomAction | b4d79916-b15a-4236-b803-62f7f496191e | mp-1667139 | Move the atom at index 30 by [-0.646 -2.461 -0.887] angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Li8Fe4P4C4O28
_chemical_formula_sum "Na4 Li8 Fe4 P4 C4 O28"
_cell_length_a 5.06386532
_cell_length_b 11.2248252
_cell_length_c 10.67264271
_cell_angle_alpha 104.4699212
_cell_angle_beta 92.92328863
_cell_angle_gamma 86.98602994
... | data_image0
_chemical_formula_structural Na4Li8Fe4P4C4O28
_chemical_formula_sum "Na4 Li8 Fe4 P4 C4 O28"
_cell_length_a 5.06386532
_cell_length_b 11.2248252
_cell_length_c 10.67264271
_cell_angle_alpha 104.4699212
_cell_angle_beta 92.92328863
_cell_angle_gamma 86.98602994
... |
MoveAtomAction | 8feacd7e-9612-48c4-b9b9-67d7ca73c265 | mp-1197452 | Move the atom at index 3 by [ 1.411 -1.235 -1.917] angstrom in the cif file. | data_image0
_chemical_formula_structural Ni4P4C20O8
_chemical_formula_sum "Ni4 P4 C20 O8"
_cell_length_a 7.12980752
_cell_length_b 10.5379638
_cell_length_c 12.190615
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 83.76935544
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ni4P4C20O8
_chemical_formula_sum "Ni4 P4 C20 O8"
_cell_length_a 7.12980752
_cell_length_b 10.5379638
_cell_length_c 12.190615
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 83.76935544
_space_group_name_H-M_alt "... |
MoveAtomAction | 0f86bde3-a134-4040-b4ca-b783b2d69438 | mp-1047 | Move the atom at index 6 by [ 0.143 -0.955 0.739] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca6N4
_chemical_formula_sum "Ca6 N4"
_cell_length_a 6.57503857
_cell_length_b 6.57503757
_cell_length_c 6.575037730000001
_cell_angle_alpha 56.04671973000001
_cell_angle_beta 56.04673021
_cell_angle_gamma 56.046734570000005
_space_... | data_image0
_chemical_formula_structural Ca6N4
_chemical_formula_sum "Ca6 N4"
_cell_length_a 6.57503857
_cell_length_b 6.57503757
_cell_length_c 6.575037730000001
_cell_angle_alpha 56.04671973000001
_cell_angle_beta 56.04673021
_cell_angle_gamma 56.046734570000005
_space_... |
MoveAtomAction | daca8157-8f2d-4d63-895d-9592ee137672 | mp-695955 | Move the atom at index 35 by [-3.596 -1.724 2.012] angstrom in the cif file. | data_image0
_chemical_formula_structural P6H22N8O18
_chemical_formula_sum "P6 H22 N8 O18"
_cell_length_a 8.034132
_cell_length_b 8.26015182
_cell_length_c 8.52604156
_cell_angle_alpha 78.17442647
_cell_angle_beta 75.33512221
_cell_angle_gamma 86.16244251999998
_space_grou... | data_image0
_chemical_formula_structural P6H22N8O18
_chemical_formula_sum "P6 H22 N8 O18"
_cell_length_a 8.034132
_cell_length_b 8.26015182
_cell_length_c 8.52604156
_cell_angle_alpha 78.17442647
_cell_angle_beta 75.33512221
_cell_angle_gamma 86.16244251999998
_space_grou... |
MoveAtomAction | 4629854a-8a22-4525-99bf-a7455985804d | mp-676665 | Move the atom at index 32 by [3.054 2.896 1.033] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba8Ta4Ti2Zn2O24
_chemical_formula_sum "Ba8 Ta4 Ti2 Zn2 O24"
_cell_length_a 10.10342246
_cell_length_b 10.103422459999999
_cell_length_c 10.10342246
_cell_angle_alpha 132.09728127
_cell_angle_beta 132.09728127
_cell_angle_gamma 70.07... | data_image0
_chemical_formula_structural Ba8Ta4Ti2Zn2O24
_chemical_formula_sum "Ba8 Ta4 Ti2 Zn2 O24"
_cell_length_a 10.10342246
_cell_length_b 10.103422459999999
_cell_length_c 10.10342246
_cell_angle_alpha 132.09728127
_cell_angle_beta 132.09728127
_cell_angle_gamma 70.07... |
MoveAtomAction | 662f803d-73f8-434a-82c0-21399ab666bf | mp-1193985 | Move the atom at index 24 by [ 3.038 -0.315 2.196] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta2Co21B6
_chemical_formula_sum "Ta2 Co21 B6"
_cell_length_a 7.42278272
_cell_length_b 7.42278272
_cell_length_c 7.42278272
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Ta2Co21B6
_chemical_formula_sum "Ta2 Co21 B6"
_cell_length_a 7.42278272
_cell_length_b 7.42278272
_cell_length_c 7.42278272
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... |
MoveAtomAction | 7c9043a0-8e7b-4d3a-80c4-33639e2a6791 | mp-1213900 | Move the atom at index 3 by [-2.011 -0.991 -1.041] angstrom in the cif file. | data_image0
_chemical_formula_structural Co8S12N8O48
_chemical_formula_sum "Co8 S12 N8 O48"
_cell_length_a 9.906579
_cell_length_b 9.906579
_cell_length_c 9.906579
_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 Co8S12N8O48
_chemical_formula_sum "Co8 S12 N8 O48"
_cell_length_a 9.906579
_cell_length_b 9.906579
_cell_length_c 9.906579
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
MoveAtomAction | e2462934-7f12-421e-9e3b-5c26be5a4937 | mp-2228948 | Move the atom at index 14 by [-2.41 2.071 -1.956] angstrom in the cif file. | data_image0
_chemical_formula_structural MgSb2P2H2O10
_chemical_formula_sum "Mg1 Sb2 P2 H2 O10"
_cell_length_a 5.76325631
_cell_length_b 8.85352955
_cell_length_c 5.20686331
_cell_angle_alpha 113.16759672999999
_cell_angle_beta 96.79631689000001
_cell_angle_gamma 102.11707... | data_image0
_chemical_formula_structural MgSb2P2H2O10
_chemical_formula_sum "Mg1 Sb2 P2 H2 O10"
_cell_length_a 5.76325631
_cell_length_b 8.85352955
_cell_length_c 5.20686331
_cell_angle_alpha 113.16759672999999
_cell_angle_beta 96.79631689000001
_cell_angle_gamma 102.11707... |
MoveAtomAction | fae6441f-e379-476e-bba0-5100a8f0083f | mp-1046973 | Move the atom at index 25 by [ 0.408 -2.116 1.747] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb4Zn4Ni2O16
_chemical_formula_sum "Nb4 Zn4 Ni2 O16"
_cell_length_a 10.09959759
_cell_length_b 10.09959759
_cell_length_c 5.258447
_cell_angle_alpha 89.67078171
_cell_angle_beta 89.67078171
_cell_angle_gamma 34.15230613
_space_grou... | data_image0
_chemical_formula_structural Nb4Zn4Ni2O16
_chemical_formula_sum "Nb4 Zn4 Ni2 O16"
_cell_length_a 10.09959759
_cell_length_b 10.09959759
_cell_length_c 5.258447
_cell_angle_alpha 89.67078171
_cell_angle_beta 89.67078171
_cell_angle_gamma 34.15230613
_space_grou... |
MoveAtomAction | cbcde064-538e-4d47-9f36-307dbd3e64bb | mp-1228150 | Move the atom at index 12 by [-1.703 -0.807 3.054] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba3LaNb3O12
_chemical_formula_sum "Ba3 La1 Nb3 O12"
_cell_length_a 9.93219031
_cell_length_b 9.932190310000001
_cell_length_c 9.93218995
_cell_angle_alpha 34.142241270000014
_cell_angle_beta 34.142241270000014
_cell_angle_gamma 34.1... | data_image0
_chemical_formula_structural Ba3LaNb3O12
_chemical_formula_sum "Ba3 La1 Nb3 O12"
_cell_length_a 9.93219031
_cell_length_b 9.932190310000001
_cell_length_c 9.93218995
_cell_angle_alpha 34.142241270000014
_cell_angle_beta 34.142241270000014
_cell_angle_gamma 34.1... |
MoveAtomAction | dc2baa10-9b48-4201-ba68-489155fd86cc | mp-2240197 | Move the atom at index 2 by [ 3.349 1.448 -0.222] angstrom in the cif file. | data_image0
_chemical_formula_structural MgV2H2O5
_chemical_formula_sum "Mg1 V2 H2 O5"
_cell_length_a 3.08567311
_cell_length_b 5.18458825
_cell_length_c 6.51517495
_cell_angle_alpha 101.57425296
_cell_angle_beta 103.70241191
_cell_angle_gamma 89.99272988000001
_space_gro... | data_image0
_chemical_formula_structural MgV2H2O5
_chemical_formula_sum "Mg1 V2 H2 O5"
_cell_length_a 3.08567311
_cell_length_b 5.18458825
_cell_length_c 6.51517495
_cell_angle_alpha 101.57425296
_cell_angle_beta 103.70241191
_cell_angle_gamma 89.99272988000001
_space_gro... |
MoveAtomAction | a6b45988-e85d-490d-b6ea-cc51999fd29b | mp-1100332 | Move the atom at index 4 by [-1.232 -0.039 0.954] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Sn2S8
_chemical_formula_sum "Ca4 Sn2 S8"
_cell_length_a 7.98651512
_cell_length_b 7.98651512
_cell_length_c 7.986515119999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999999999... | data_image0
_chemical_formula_structural Ca4Sn2S8
_chemical_formula_sum "Ca4 Sn2 S8"
_cell_length_a 7.98651512
_cell_length_b 7.98651512
_cell_length_c 7.986515119999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999999999... |
MoveAtomAction | cd709570-f4b5-4b9f-8ca6-2537a4e3f02d | mp-31430 | Move the atom at index 12 by [-0.483 -0.138 -0.683] angstrom in the cif file. | data_image0
_chemical_formula_structural Na16In8
_chemical_formula_sum "Na16 In8"
_cell_length_a 8.15097133
_cell_length_b 8.15097091
_cell_length_c 11.60454069
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 114.66587737
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Na16In8
_chemical_formula_sum "Na16 In8"
_cell_length_a 8.15097133
_cell_length_b 8.15097091
_cell_length_c 11.60454069
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 114.66587737
_space_group_name_H-M_alt "P 1"
... |
MoveAtomAction | cf6ba4b1-0e2c-4149-b7ff-bc009ecad354 | mp-2715422 | Move the atom at index 43 by [0.244 0.183 2.851] angstrom in the cif file. | data_image0
_chemical_formula_structural Na12Sc4Al4P12O48
_chemical_formula_sum "Na12 Sc4 Al4 P12 O48"
_cell_length_a 15.30176184
_cell_length_b 8.79478446
_cell_length_c 8.85877168
_cell_angle_alpha 90.10127945
_cell_angle_beta 124.79781841
_cell_angle_gamma 89.9567243299... | data_image0
_chemical_formula_structural Na12Sc4Al4P12O48
_chemical_formula_sum "Na12 Sc4 Al4 P12 O48"
_cell_length_a 15.30176184
_cell_length_b 8.79478446
_cell_length_c 8.85877168
_cell_angle_alpha 90.10127945
_cell_angle_beta 124.79781841
_cell_angle_gamma 89.9567243299... |
MoveAtomAction | 09b8f783-0aa5-44cc-bef3-9d606667f5bc | mp-558850 | Move the atom at index 12 by [ 1.064 -1.241 -3.294] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2Nd2W4O16
_chemical_formula_sum "Rb2 Nd2 W4 O16"
_cell_length_a 7.76133376
_cell_length_b 7.76133376
_cell_length_c 7.59294762
_cell_angle_alpha 62.74418263
_cell_angle_beta 62.74418263
_cell_angle_gamma 89.31264594
_space_group_... | data_image0
_chemical_formula_structural Rb2Nd2W4O16
_chemical_formula_sum "Rb2 Nd2 W4 O16"
_cell_length_a 7.76133376
_cell_length_b 7.76133376
_cell_length_c 7.59294762
_cell_angle_alpha 62.74418263
_cell_angle_beta 62.74418263
_cell_angle_gamma 89.31264594
_space_group_... |
MoveAtomAction | 1c2a502a-b666-4af1-8b54-143278e2b34e | mp-30276 | Move the atom at index 34 by [ 2.259 -2.921 0.501] angstrom in the cif file. | data_image0
_chemical_formula_structural Ce20Ga10Cl8
_chemical_formula_sum "Ce20 Ga10 Cl8"
_cell_length_a 16.57767287
_cell_length_b 16.577672870000004
_cell_length_c 16.57767287
_cell_angle_alpha 152.84439716
_cell_angle_beta 152.84439716
_cell_angle_gamma 38.781467470000... | data_image0
_chemical_formula_structural Ce20Ga10Cl8
_chemical_formula_sum "Ce20 Ga10 Cl8"
_cell_length_a 16.57767287
_cell_length_b 16.577672870000004
_cell_length_c 16.57767287
_cell_angle_alpha 152.84439716
_cell_angle_beta 152.84439716
_cell_angle_gamma 38.781467470000... |
MoveAtomAction | fe76839f-46a5-452e-bec5-20e987a5638a | mp-1246300 | Move the atom at index 1 by [-0.801 2.306 1.462] angstrom in the cif file. | data_image0
_chemical_formula_structural Bi16Se12N8
_chemical_formula_sum "Bi16 Se12 N8"
_cell_length_a 7.18073703
_cell_length_b 11.15247521
_cell_length_c 11.08990782
_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 Bi16Se12N8
_chemical_formula_sum "Bi16 Se12 N8"
_cell_length_a 7.18073703
_cell_length_b 11.15247521
_cell_length_c 11.08990782
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveAtomAction | 286e4d89-505e-400e-a80d-9cddbc50974c | mp-5214 | Move the atom at index 30 by [-3.271 0.027 -2.694] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti4Te12O32
_chemical_formula_sum "Ti4 Te12 O32"
_cell_length_a 9.53573741
_cell_length_b 9.53564435
_cell_length_c 9.53570518
_cell_angle_alpha 109.47124752
_cell_angle_beta 109.4706876
_cell_angle_gamma 109.47161738
_space_group_n... | data_image0
_chemical_formula_structural Ti4Te12O32
_chemical_formula_sum "Ti4 Te12 O32"
_cell_length_a 9.53573741
_cell_length_b 9.53564435
_cell_length_c 9.53570518
_cell_angle_alpha 109.47124752
_cell_angle_beta 109.4706876
_cell_angle_gamma 109.47161738
_space_group_n... |
MoveAtomAction | f3c33ae3-6cc8-4062-82ec-9942d4268623 | mp-18973 | Move the atom at index 17 by [-3.533 -0.143 1.939] angstrom in the cif file. | data_image0
_chemical_formula_structural Co4Se8O20
_chemical_formula_sum "Co4 Se8 O20"
_cell_length_a 6.03250795
_cell_length_b 6.854543640000001
_cell_length_c 10.32688205
_cell_angle_alpha 90.00041396
_cell_angle_beta 89.99939194000001
_cell_angle_gamma 89.99181073
_spa... | data_image0
_chemical_formula_structural Co4Se8O20
_chemical_formula_sum "Co4 Se8 O20"
_cell_length_a 6.03250795
_cell_length_b 6.854543640000001
_cell_length_c 10.32688205
_cell_angle_alpha 90.00041396
_cell_angle_beta 89.99939194000001
_cell_angle_gamma 89.99181073
_spa... |
MoveAtomAction | 5e8ff822-0264-4b9e-9516-d2a1d805d6a6 | mp-1079383 | Move the atom at index 7 by [-1.347 -2.762 0.436] angstrom in the cif file. | data_image0
_chemical_formula_structural Ce4In2Cu4
_chemical_formula_sum "Ce4 In2 Cu4"
_cell_length_a 8.380093
_cell_length_b 8.380093
_cell_length_c 3.154539
_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 Ce4In2Cu4
_chemical_formula_sum "Ce4 In2 Cu4"
_cell_length_a 8.380093
_cell_length_b 8.380093
_cell_length_c 3.154539
_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... |
MoveAtomAction | 84620e7f-fdce-4e13-84f5-944154387862 | mp-772024 | Move the atom at index 30 by [-1.359 0.175 2.83 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba12La4Br36
_chemical_formula_sum "Ba12 La4 Br36"
_cell_length_a 7.538961
_cell_length_b 8.100884
_cell_length_c 31.53521157
_cell_angle_alpha 87.93795992
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ba12La4Br36
_chemical_formula_sum "Ba12 La4 Br36"
_cell_length_a 7.538961
_cell_length_b 8.100884
_cell_length_c 31.53521157
_cell_angle_alpha 87.93795992
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveAtomAction | bc62b95e-0138-4130-b9d2-5811afb41046 | mp-15514 | Move the atom at index 4 by [-0.917 1.319 -0.128] angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Se16
_chemical_formula_sum "Na8 Se16"
_cell_length_a 9.43549015
_cell_length_b 9.43548998
_cell_length_c 9.43548941
_cell_angle_alpha 101.08664555
_cell_angle_beta 113.81929890999999
_cell_angle_gamma 113.81929052
_space_group_n... | data_image0
_chemical_formula_structural Na8Se16
_chemical_formula_sum "Na8 Se16"
_cell_length_a 9.43549015
_cell_length_b 9.43548998
_cell_length_c 9.43548941
_cell_angle_alpha 101.08664555
_cell_angle_beta 113.81929890999999
_cell_angle_gamma 113.81929052
_space_group_n... |
MoveAtomAction | b4ee34bc-caa9-451a-aa5e-574ac7e31deb | mp-761166 | Move the atom at index 5 by [ 0.766 -2.601 -1.208] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Fe2F6
_chemical_formula_sum "Li2 Fe2 F6"
_cell_length_a 5.26450736
_cell_length_b 5.26450736
_cell_length_c 5.58662632
_cell_angle_alpha 62.53720544
_cell_angle_beta 62.53720544
_cell_angle_gamma 59.64166649999999
_space_group_n... | data_image0
_chemical_formula_structural Li2Fe2F6
_chemical_formula_sum "Li2 Fe2 F6"
_cell_length_a 5.26450736
_cell_length_b 5.26450736
_cell_length_c 5.58662632
_cell_angle_alpha 62.53720544
_cell_angle_beta 62.53720544
_cell_angle_gamma 59.64166649999999
_space_group_n... |
MoveAtomAction | b2a1e797-566b-4705-afbb-5f5985515224 | mp-1026435 | Move the atom at index 9 by [-0.571 -4.22 -2.178] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14TiMo
_chemical_formula_sum "Mg14 Ti1 Mo1"
_cell_length_a 6.29406518
_cell_length_b 6.29406468
_cell_length_c 9.97224972
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000263999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mg14TiMo
_chemical_formula_sum "Mg14 Ti1 Mo1"
_cell_length_a 6.29406518
_cell_length_b 6.29406468
_cell_length_c 9.97224972
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000263999999
_space_group_name_H-M_alt... |
MoveAtomAction | f65cfc42-3f69-4263-8f39-9d70801802b1 | mp-1221912 | Move the atom at index 0 by [-0.5 2.321 0.51 ] 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... |
MoveAtomAction | a9de4a64-a51b-4780-b500-92ca71ea5d36 | mp-1229052 | Move the atom at index 41 by [-0.726 -0.568 1.998] angstrom in the cif file. | data_image0
_chemical_formula_structural Al41V4
_chemical_formula_sum "Al41 V4"
_cell_length_a 10.13341311
_cell_length_b 10.133404340000002
_cell_length_c 10.13343431
_cell_angle_alpha 60.00027868000001
_cell_angle_beta 60.00000942
_cell_angle_gamma 60.00008363
_space_gr... | data_image0
_chemical_formula_structural Al41V4
_chemical_formula_sum "Al41 V4"
_cell_length_a 10.13341311
_cell_length_b 10.133404340000002
_cell_length_c 10.13343431
_cell_angle_alpha 60.00027868000001
_cell_angle_beta 60.00000942
_cell_angle_gamma 60.00008363
_space_gr... |
MoveAtomAction | 54e978cd-b8ae-45d2-af79-b77825dd081a | mp-1207687 | Move the atom at index 19 by [-0.032 -0.541 -0.357] 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... |
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