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 | c5de5f64-9cc8-4970-9c73-9762af805d7e | mp-1042880 | Move the atom at index 6 by [0.239 0.048 0.722] angstrom in the cif file. | data_image0
_chemical_formula_structural Zn4Ni6O16
_chemical_formula_sum "Zn4 Ni6 O16"
_cell_length_a 5.75358048
_cell_length_b 5.75358048
_cell_length_c 9.188489
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000555
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Zn4Ni6O16
_chemical_formula_sum "Zn4 Ni6 O16"
_cell_length_a 5.75358048
_cell_length_b 5.75358048
_cell_length_c 9.188489
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000555
_space_group_name_H-M_alt "P 1... |
MoveAtomAction | 83b61a24-8aed-40af-8e5d-fdc7f92b10c2 | mp-1217245 | Move the atom at index 11 by [ 1.21 -0.923 -0.636] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti3FeBi5O15
_chemical_formula_sum "Ti3 Fe1 Bi5 O15"
_cell_length_a 3.9680035
_cell_length_b 3.9680035
_cell_length_c 20.70600862
_cell_angle_alpha 84.57108651
_cell_angle_beta 84.57108651
_cell_angle_gamma 88.55952303
_space_group_... | data_image0
_chemical_formula_structural Ti3FeBi5O15
_chemical_formula_sum "Ti3 Fe1 Bi5 O15"
_cell_length_a 3.9680035
_cell_length_b 3.9680035
_cell_length_c 20.70600862
_cell_angle_alpha 84.57108651
_cell_angle_beta 84.57108651
_cell_angle_gamma 88.55952303
_space_group_... |
MoveAtomAction | 3c48dca9-6c4b-4f28-8f58-1221cb65d9dd | mp-755643 | Move the atom at index 12 by [-1.827 -2.45 2.49 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb6In2O6
_chemical_formula_sum "Rb6 In2 O6"
_cell_length_a 7.06166937
_cell_length_b 7.06166937
_cell_length_c 6.99356755
_cell_angle_alpha 84.12665671
_cell_angle_beta 84.12665671
_cell_angle_gamma 114.54365522
_space_group_name_H... | data_image0
_chemical_formula_structural Rb6In2O6
_chemical_formula_sum "Rb6 In2 O6"
_cell_length_a 7.06166937
_cell_length_b 7.06166937
_cell_length_c 6.99356755
_cell_angle_alpha 84.12665671
_cell_angle_beta 84.12665671
_cell_angle_gamma 114.54365522
_space_group_name_H... |
MoveAtomAction | 52e59fb2-9f65-4a3f-8a8f-ac2361b5d265 | mp-554749 | Move the atom at index 50 by [ 1.629 -1.848 -2.291] angstrom in the cif file. | data_image0
_chemical_formula_structural P18Ir6O54
_chemical_formula_sum "P18 Ir6 O54"
_cell_length_a 9.33263976
_cell_length_b 10.51496354
_cell_length_c 11.6246022
_cell_angle_alpha 113.40638887
_cell_angle_beta 109.84187317
_cell_angle_gamma 97.87824592
_space_group_na... | data_image0
_chemical_formula_structural P18Ir6O54
_chemical_formula_sum "P18 Ir6 O54"
_cell_length_a 9.33263976
_cell_length_b 10.51496354
_cell_length_c 11.6246022
_cell_angle_alpha 113.40638887
_cell_angle_beta 109.84187317
_cell_angle_gamma 97.87824592
_space_group_na... |
MoveAtomAction | f54aca3e-7de7-4ea3-99ad-5835316e6b4f | mp-1110571 | Move the atom at index 6 by [ 0.819 1.156 -0.245] angstrom in the cif file. | data_image0
_chemical_formula_structural Na3CrF6
_chemical_formula_sum "Na3 Cr1 F6"
_cell_length_a 5.79972
_cell_length_b 5.79972013
_cell_length_c 5.79972038
_cell_angle_alpha 60.00000193
_cell_angle_beta 60.00000217
_cell_angle_gamma 60.00000072000001
_space_group_name_... | data_image0
_chemical_formula_structural Na3CrF6
_chemical_formula_sum "Na3 Cr1 F6"
_cell_length_a 5.79972
_cell_length_b 5.79972013
_cell_length_c 5.79972038
_cell_angle_alpha 60.00000193
_cell_angle_beta 60.00000217
_cell_angle_gamma 60.00000072000001
_space_group_name_... |
MoveAtomAction | 7b46b0de-a0d6-4390-bbbd-23e842459d47 | mp-1190284 | Move the atom at index 12 by [ 3.652 2.027 -1.557] angstrom in the cif file. | data_image0
_chemical_formula_structural Bi8Se9
_chemical_formula_sum "Bi8 Se9"
_cell_length_a 4.20604969
_cell_length_b 4.20604969
_cell_length_c 34.32393858
_cell_angle_alpha 86.52853567
_cell_angle_beta 86.52853567
_cell_angle_gamma 60.00181730999999
_space_group_name_... | data_image0
_chemical_formula_structural Bi8Se9
_chemical_formula_sum "Bi8 Se9"
_cell_length_a 4.20604969
_cell_length_b 4.20604969
_cell_length_c 34.32393858
_cell_angle_alpha 86.52853567
_cell_angle_beta 86.52853567
_cell_angle_gamma 60.00181730999999
_space_group_name_... |
MoveAtomAction | 4a2d88ce-09de-45aa-981d-b651471fe43a | mp-1028272 | Move the atom at index 15 by [-6.067 2.507 2.908] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14TiSn
_chemical_formula_sum "Mg14 Ti1 Sn1"
_cell_length_a 6.3142147
_cell_length_b 6.314214199999999
_cell_length_c 10.3878148
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000260999998
_space_group_name_H... | data_image0
_chemical_formula_structural Mg14TiSn
_chemical_formula_sum "Mg14 Ti1 Sn1"
_cell_length_a 6.3142147
_cell_length_b 6.314214199999999
_cell_length_c 10.3878148
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000260999998
_space_group_name_H... |
MoveAtomAction | be396abc-6b05-4f49-934b-7b3cc3930c5f | mp-705004 | Move the atom at index 13 by [-1.027 0.443 -2.129] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Ni2P10O30
_chemical_formula_sum "Li2 Ni2 P10 O30"
_cell_length_a 9.493576
_cell_length_b 5.384713
_cell_length_c 13.221519480000001
_cell_angle_alpha 69.1915704
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li2Ni2P10O30
_chemical_formula_sum "Li2 Ni2 P10 O30"
_cell_length_a 9.493576
_cell_length_b 5.384713
_cell_length_c 13.221519480000001
_cell_angle_alpha 69.1915704
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveAtomAction | 6d3aef21-528d-4ccf-8eb9-7786d81bf6f3 | mp-1112589 | Move the atom at index 3 by [ 2.235 -0.656 0.067] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2HgPdF6
_chemical_formula_sum "Cs2 Hg1 Pd1 F6"
_cell_length_a 6.45417937
_cell_length_b 6.454179370000001
_cell_length_c 6.454179369999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Cs2HgPdF6
_chemical_formula_sum "Cs2 Hg1 Pd1 F6"
_cell_length_a 6.45417937
_cell_length_b 6.454179370000001
_cell_length_c 6.454179369999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... |
MoveAtomAction | 65fe1d86-e464-4290-8917-08b685d5466b | mp-1402005 | Move the atom at index 0 by [-0.292 -0.837 2.567] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2Co4O8
_chemical_formula_sum "Ca2 Co4 O8"
_cell_length_a 5.99513272
_cell_length_b 5.99513272
_cell_length_c 5.995132719999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999999999... | data_image0
_chemical_formula_structural Ca2Co4O8
_chemical_formula_sum "Ca2 Co4 O8"
_cell_length_a 5.99513272
_cell_length_b 5.99513272
_cell_length_c 5.995132719999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999999999... |
MoveAtomAction | d07e56e3-0edf-4ef0-ab88-a01c05c7a094 | mp-18612 | Move the atom at index 20 by [0.055 0.046 4.205] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb8Mo4S16
_chemical_formula_sum "Rb8 Mo4 S16"
_cell_length_a 7.06149462
_cell_length_b 9.76420902
_cell_length_c 12.53190343
_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 Rb8Mo4S16
_chemical_formula_sum "Rb8 Mo4 S16"
_cell_length_a 7.06149462
_cell_length_b 9.76420902
_cell_length_c 12.53190343
_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 | d3a5cc4e-4d3d-48db-bbf9-0b0ceb5e5d6f | mp-706446 | Move the atom at index 43 by [ 4.271 2.407 -1.813] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2Ti2H20C8O26
_chemical_formula_sum "Cs2 Ti2 H20 C8 O26"
_cell_length_a 11.945101
_cell_length_b 7.228416
_cell_length_c 8.01565343
_cell_angle_alpha 77.92295186
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Cs2Ti2H20C8O26
_chemical_formula_sum "Cs2 Ti2 H20 C8 O26"
_cell_length_a 11.945101
_cell_length_b 7.228416
_cell_length_c 8.01565343
_cell_angle_alpha 77.92295186
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
MoveAtomAction | fc3f485f-48e6-411e-94d4-b64c4ec78298 | mp-755976 | Move the atom at index 15 by [ 2.09 -2.551 0.071] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2MnV4FeO12
_chemical_formula_sum "Li2 Mn1 V4 Fe1 O12"
_cell_length_a 6.99287548
_cell_length_b 6.99287548
_cell_length_c 5.82796424
_cell_angle_alpha 74.53045529
_cell_angle_beta 74.53045529
_cell_angle_gamma 83.17459747
_space_g... | data_image0
_chemical_formula_structural Li2MnV4FeO12
_chemical_formula_sum "Li2 Mn1 V4 Fe1 O12"
_cell_length_a 6.99287548
_cell_length_b 6.99287548
_cell_length_c 5.82796424
_cell_angle_alpha 74.53045529
_cell_angle_beta 74.53045529
_cell_angle_gamma 83.17459747
_space_g... |
MoveAtomAction | 1ce359da-79dd-44c9-a824-e45a129d323b | mp-1522056 | Move the atom at index 2 by [-0.205 -1.298 -0.561] angstrom in the cif file. | data_image0
_chemical_formula_structural CaEuTiSnO6
_chemical_formula_sum "Ca1 Eu1 Ti1 Sn1 O6"
_cell_length_a 5.661041
_cell_length_b 5.661041
_cell_length_c 5.661041
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.00000000000001... | data_image0
_chemical_formula_structural CaEuTiSnO6
_chemical_formula_sum "Ca1 Eu1 Ti1 Sn1 O6"
_cell_length_a 5.661041
_cell_length_b 5.661041
_cell_length_c 5.661041
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.00000000000001... |
MoveAtomAction | 76c41a49-5cc9-4e2e-9aea-1826e46bec41 | mp-1100614 | Move the atom at index 16 by [-5.085 -2.911 -0.872] angstrom in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 19.31409866
_cell_length_b 19.31409866
_cell_length_c 5.18226634
_cell_angle_alpha 88.41600811
_cell_angle_beta 88.41600811
_cell_angle_gamma 8.55319050000004
_spa... | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 19.31409866
_cell_length_b 19.31409866
_cell_length_c 5.18226634
_cell_angle_alpha 88.41600811
_cell_angle_beta 88.41600811
_cell_angle_gamma 8.55319050000004
_spa... |
MoveAtomAction | 37f89b7d-3b5d-4409-965e-c00aa279fb3d | mp-1110828 | Move the atom at index 6 by [-0.298 -3.155 3.61 ] angstrom in the cif file. | data_image0
_chemical_formula_structural K2NaTaF6
_chemical_formula_sum "K2 Na1 Ta1 F6"
_cell_length_a 6.15114607
_cell_length_b 6.151146169999999
_cell_length_c 6.1511461700000005
_cell_angle_alpha 59.99999951
_cell_angle_beta 59.99999932
_cell_angle_gamma 59.999999319999... | data_image0
_chemical_formula_structural K2NaTaF6
_chemical_formula_sum "K2 Na1 Ta1 F6"
_cell_length_a 6.15114607
_cell_length_b 6.151146169999999
_cell_length_c 6.1511461700000005
_cell_angle_alpha 59.99999951
_cell_angle_beta 59.99999932
_cell_angle_gamma 59.999999319999... |
MoveAtomAction | 7ab051f7-9574-4c41-8cbb-5b619f64d291 | mp-2224725 | Move the atom at index 2 by [ 1.289 -2.39 1.643] angstrom in the cif file. | data_image0
_chemical_formula_structural MgV4O8F4
_chemical_formula_sum "Mg1 V4 O8 F4"
_cell_length_a 5.16647683
_cell_length_b 9.2913961
_cell_length_c 5.06689325
_cell_angle_alpha 103.06768326999999
_cell_angle_beta 117.59282424000001
_cell_angle_gamma 77.03198738
_spac... | data_image0
_chemical_formula_structural MgV4O8F4
_chemical_formula_sum "Mg1 V4 O8 F4"
_cell_length_a 5.16647683
_cell_length_b 9.2913961
_cell_length_c 5.06689325
_cell_angle_alpha 103.06768326999999
_cell_angle_beta 117.59282424000001
_cell_angle_gamma 77.03198738
_spac... |
MoveAtomAction | 1b60f8d1-42d0-4389-adee-7d4297262c1e | mp-1193573 | Move the atom at index 3 by [ 2.555 -2.717 -0.891] angstrom in the cif file. | data_image0
_chemical_formula_structural Eu2Ni18Ge8
_chemical_formula_sum "Eu2 Ni18 Ge8"
_cell_length_a 8.19732231
_cell_length_b 8.19732231
_cell_length_c 8.19732231
_cell_angle_alpha 121.67561897999998
_cell_angle_beta 121.67561897999998
_cell_angle_gamma 87.121445739999... | data_image0
_chemical_formula_structural Eu2Ni18Ge8
_chemical_formula_sum "Eu2 Ni18 Ge8"
_cell_length_a 8.19732231
_cell_length_b 8.19732231
_cell_length_c 8.19732231
_cell_angle_alpha 121.67561897999998
_cell_angle_beta 121.67561897999998
_cell_angle_gamma 87.121445739999... |
MoveAtomAction | 257d92c3-0121-4ff6-8946-b9bdd630f5c3 | mp-1520146 | Move the atom at index 1 by [-2.743 0.074 -1.828] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2PrTiO6
_chemical_formula_sum "Ba2 Pr1 Ti1 O6"
_cell_length_a 6.12040321
_cell_length_b 6.120403210000001
_cell_length_c 6.12040321
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999... | data_image0
_chemical_formula_structural Ba2PrTiO6
_chemical_formula_sum "Ba2 Pr1 Ti1 O6"
_cell_length_a 6.12040321
_cell_length_b 6.120403210000001
_cell_length_c 6.12040321
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999... |
MoveAtomAction | 60d09948-02ce-4903-bce0-f5cbedcde7e9 | mp-8762 | Move the atom at index 12 by [ 0.542 1.541 -3.4 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Er8S8O4
_chemical_formula_sum "Er8 S8 O4"
_cell_length_a 6.79738802
_cell_length_b 6.78756073
_cell_length_c 8.18333571
_cell_angle_alpha 80.45408257
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Er8S8O4
_chemical_formula_sum "Er8 S8 O4"
_cell_length_a 6.79738802
_cell_length_b 6.78756073
_cell_length_c 8.18333571
_cell_angle_alpha 80.45408257
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveAtomAction | 95d4f9c7-4554-484b-95f7-342b06016667 | mp-1044413 | Move the atom at index 8 by [-3.265 1.634 -1.648] angstrom in the cif file. | data_image0
_chemical_formula_structural Zn4Fe4Bi4O20
_chemical_formula_sum "Zn4 Fe4 Bi4 O20"
_cell_length_a 10.499317
_cell_length_b 5.349085
_cell_length_c 8.526569
_cell_angle_alpha 71.10196895
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Zn4Fe4Bi4O20
_chemical_formula_sum "Zn4 Fe4 Bi4 O20"
_cell_length_a 10.499317
_cell_length_b 5.349085
_cell_length_c 8.526569
_cell_angle_alpha 71.10196895
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveAtomAction | 2482ba23-8922-468e-baf1-ee597b8162c5 | mp-568693 | Move the atom at index 10 by [-0.245 -2.897 1.883] angstrom in the cif file. | data_image0
_chemical_formula_structural Gd2Al18Ni6
_chemical_formula_sum "Gd2 Al18 Ni6"
_cell_length_a 10.01121256
_cell_length_b 10.01121256
_cell_length_c 10.01121108
_cell_angle_alpha 42.44124238
_cell_angle_beta 42.44124238
_cell_angle_gamma 42.44124581000001
_space_... | data_image0
_chemical_formula_structural Gd2Al18Ni6
_chemical_formula_sum "Gd2 Al18 Ni6"
_cell_length_a 10.01121256
_cell_length_b 10.01121256
_cell_length_c 10.01121108
_cell_angle_alpha 42.44124238
_cell_angle_beta 42.44124238
_cell_angle_gamma 42.44124581000001
_space_... |
MoveAtomAction | 0cfb0ca0-82c7-4795-94ed-f9d1d01f4243 | mp-557871 | Move the atom at index 10 by [ 0.524 1.035 -4.054] angstrom in the cif file. | data_image0
_chemical_formula_structural Cu2As2Pb2O8
_chemical_formula_sum "Cu2 As2 Pb2 O8"
_cell_length_a 4.940538
_cell_length_b 5.93944518
_cell_length_c 8.11102464
_cell_angle_alpha 78.38046383999999
_cell_angle_beta 75.35588946
_cell_angle_gamma 84.33663671
_space_gr... | data_image0
_chemical_formula_structural Cu2As2Pb2O8
_chemical_formula_sum "Cu2 As2 Pb2 O8"
_cell_length_a 4.940538
_cell_length_b 5.93944518
_cell_length_c 8.11102464
_cell_angle_alpha 78.38046383999999
_cell_angle_beta 75.35588946
_cell_angle_gamma 84.33663671
_space_gr... |
MoveAtomAction | 6eff5b41-b28e-4dc8-ad76-9ba7cd932497 | mp-1247260 | Move the atom at index 4 by [ 1.013 0.444 -0.201] angstrom in the cif file. | data_image0
_chemical_formula_structural Ga16Te12N8
_chemical_formula_sum "Ga16 Te12 N8"
_cell_length_a 6.373513
_cell_length_b 11.340364
_cell_length_c 11.995175
_cell_angle_alpha 90.00001488
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Ga16Te12N8
_chemical_formula_sum "Ga16 Te12 N8"
_cell_length_a 6.373513
_cell_length_b 11.340364
_cell_length_c 11.995175
_cell_angle_alpha 90.00001488
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveAtomAction | 6e26c76f-d44f-4a3a-b7f4-6cde8a4ec293 | mp-17446 | Move the atom at index 0 by [ 0.8 2.454 -1.996] angstrom in the cif file. | data_image0
_chemical_formula_structural Pr4Pt4F28
_chemical_formula_sum "Pr4 Pt4 F28"
_cell_length_a 5.55250346
_cell_length_b 9.16738669
_cell_length_c 12.29216205
_cell_angle_alpha 61.48286727
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Pr4Pt4F28
_chemical_formula_sum "Pr4 Pt4 F28"
_cell_length_a 5.55250346
_cell_length_b 9.16738669
_cell_length_c 12.29216205
_cell_angle_alpha 61.48286727
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveAtomAction | fcd2e79e-6263-48e7-84a6-ea0ecf8b15e4 | mp-1179123 | Move the atom at index 41 by [-0.364 0.591 -2.011] angstrom in the cif file. | data_image0
_chemical_formula_structural U12O40
_chemical_formula_sum "U12 O40"
_cell_length_a 20.445114
_cell_length_b 5.881327
_cell_length_c 7.99873712
_cell_angle_alpha 62.64545598
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural U12O40
_chemical_formula_sum "U12 O40"
_cell_length_a 20.445114
_cell_length_b 5.881327
_cell_length_c 7.99873712
_cell_angle_alpha 62.64545598
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
MoveAtomAction | 499f586b-f113-454f-aa35-7d3b16e68432 | mp-1246639 | Move the atom at index 15 by [1.439 0.88 3.774] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb6Pb6N10
_chemical_formula_sum "Nb6 Pb6 N10"
_cell_length_a 6.38022584
_cell_length_b 7.95680505
_cell_length_c 9.24835502
_cell_angle_alpha 104.97785735000001
_cell_angle_beta 96.23365096
_cell_angle_gamma 104.06418794000001
_spa... | data_image0
_chemical_formula_structural Nb6Pb6N10
_chemical_formula_sum "Nb6 Pb6 N10"
_cell_length_a 6.38022584
_cell_length_b 7.95680505
_cell_length_c 9.24835502
_cell_angle_alpha 104.97785735000001
_cell_angle_beta 96.23365096
_cell_angle_gamma 104.06418794000001
_spa... |
MoveAtomAction | d70a6b37-9e10-4641-93d4-c516f41f36fa | mp-697774 | Move the atom at index 34 by [-0.801 -3.349 3.774] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Cr4P8O32
_chemical_formula_sum "Li8 Cr4 P8 O32"
_cell_length_a 17.437115
_cell_length_b 4.884287
_cell_length_c 6.59633722
_cell_angle_alpha 85.48475802999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li8Cr4P8O32
_chemical_formula_sum "Li8 Cr4 P8 O32"
_cell_length_a 17.437115
_cell_length_b 4.884287
_cell_length_c 6.59633722
_cell_angle_alpha 85.48475802999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
MoveAtomAction | dd4c38a5-4955-46d7-a2f6-1b8d66dd52c9 | mp-28457 | Move the atom at index 21 by [ 0.325 -3.673 1.697] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Ta15O32
_chemical_formula_sum "Ba2 Ta15 O32"
_cell_length_a 12.7109296
_cell_length_b 12.71092961
_cell_length_c 12.71092891
_cell_angle_alpha 35.78676115999999
_cell_angle_beta 35.786761150000004
_cell_angle_gamma 35.78675881999... | data_image0
_chemical_formula_structural Ba2Ta15O32
_chemical_formula_sum "Ba2 Ta15 O32"
_cell_length_a 12.7109296
_cell_length_b 12.71092961
_cell_length_c 12.71092891
_cell_angle_alpha 35.78676115999999
_cell_angle_beta 35.786761150000004
_cell_angle_gamma 35.78675881999... |
MoveAtomAction | 996d1308-be3e-4a40-aa8a-cb5eea3c1f4f | mp-754121 | Move the atom at index 11 by [ 3.773 -1.069 2.381] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Al2Co2O8
_chemical_formula_sum "Li4 Al2 Co2 O8"
_cell_length_a 5.003307
_cell_length_b 5.503017
_cell_length_c 6.240762
_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 Li4Al2Co2O8
_chemical_formula_sum "Li4 Al2 Co2 O8"
_cell_length_a 5.003307
_cell_length_b 5.503017
_cell_length_c 6.240762
_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 | e3f18f94-f614-4a89-9324-3081003b7afb | mp-1227224 | Move the atom at index 15 by [ 0.883 -3.065 1.566] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4La4Nb4Co4O24
_chemical_formula_sum "Ca4 La4 Nb4 Co4 O24"
_cell_length_a 5.75215555
_cell_length_b 9.73227218
_cell_length_c 9.701811169999997
_cell_angle_alpha 70.08956945
_cell_angle_beta 90.01605944999999
_cell_angle_gamma 89.9... | data_image0
_chemical_formula_structural Ca4La4Nb4Co4O24
_chemical_formula_sum "Ca4 La4 Nb4 Co4 O24"
_cell_length_a 5.75215555
_cell_length_b 9.73227218
_cell_length_c 9.701811169999997
_cell_angle_alpha 70.08956945
_cell_angle_beta 90.01605944999999
_cell_angle_gamma 89.9... |
MoveAtomAction | 0edb3397-7227-483c-9156-0e06b1348ebe | mp-1102706 | Move the atom at index 3 by [ 1.259 -1.18 0.692] angstrom in the cif file. | data_image0
_chemical_formula_structural Eu3Ga8
_chemical_formula_sum "Eu3 Ga8"
_cell_length_a 13.19680096
_cell_length_b 13.19680096
_cell_length_c 13.19680096
_cell_angle_alpha 160.74251643000002
_cell_angle_beta 160.19978947
_cell_angle_gamma 27.75764840999999
_space_g... | data_image0
_chemical_formula_structural Eu3Ga8
_chemical_formula_sum "Eu3 Ga8"
_cell_length_a 13.19680096
_cell_length_b 13.19680096
_cell_length_c 13.19680096
_cell_angle_alpha 160.74251643000002
_cell_angle_beta 160.19978947
_cell_angle_gamma 27.75764840999999
_space_g... |
MoveAtomAction | daa745a5-80ac-4162-a970-cf8251132d7f | mp-1192578 | Move the atom at index 25 by [-2.734 -0.166 -2.755] angstrom in the cif file. | data_image0
_chemical_formula_structural K2Ca4USi4O16
_chemical_formula_sum "K2 Ca4 U1 Si4 O16"
_cell_length_a 6.722305
_cell_length_b 6.76571075
_cell_length_c 9.81058051
_cell_angle_alpha 98.67428088999999
_cell_angle_beta 93.17407982
_cell_angle_gamma 112.43482087999999... | data_image0
_chemical_formula_structural K2Ca4USi4O16
_chemical_formula_sum "K2 Ca4 U1 Si4 O16"
_cell_length_a 6.722305
_cell_length_b 6.76571075
_cell_length_c 9.81058051
_cell_angle_alpha 98.67428088999999
_cell_angle_beta 93.17407982
_cell_angle_gamma 112.43482087999999... |
MoveAtomAction | 65b39a9f-1931-497a-8ab5-0867accab806 | mp-756031 | Move the atom at index 5 by [ 0.054 -0.921 -2.816] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Co4O2F12
_chemical_formula_sum "Li4 Co4 O2 F12"
_cell_length_a 5.33574
_cell_length_b 6.683689180000001
_cell_length_c 8.37365361
_cell_angle_alpha 71.21634546
_cell_angle_beta 74.80933337
_cell_angle_gamma 82.71241352999999
_sp... | data_image0
_chemical_formula_structural Li4Co4O2F12
_chemical_formula_sum "Li4 Co4 O2 F12"
_cell_length_a 5.33574
_cell_length_b 6.683689180000001
_cell_length_c 8.37365361
_cell_angle_alpha 71.21634546
_cell_angle_beta 74.80933337
_cell_angle_gamma 82.71241352999999
_sp... |
MoveAtomAction | 133c4f28-532f-4a6d-9374-aa899f279ef7 | mp-30667 | Move the atom at index 32 by [-4.326 3.245 -0.889] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr32Ga28
_chemical_formula_sum "Sr32 Ga28"
_cell_length_a 12.4439314
_cell_length_b 12.4439314
_cell_length_c 12.4439314
_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 Sr32Ga28
_chemical_formula_sum "Sr32 Ga28"
_cell_length_a 12.4439314
_cell_length_b 12.4439314
_cell_length_c 12.4439314
_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 | 9bb6f31a-8de4-4503-b508-0e63df8e4496 | mp-661715 | Move the atom at index 9 by [-0.318 2.763 -0.506] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti2S2Cl12O2
_chemical_formula_sum "Ti2 S2 Cl12 O2"
_cell_length_a 6.632096
_cell_length_b 8.1887806
_cell_length_c 11.22515027
_cell_angle_alpha 108.50382951
_cell_angle_beta 91.38155874
_cell_angle_gamma 113.71642866
_space_group_... | data_image0
_chemical_formula_structural Ti2S2Cl12O2
_chemical_formula_sum "Ti2 S2 Cl12 O2"
_cell_length_a 6.632096
_cell_length_b 8.1887806
_cell_length_c 11.22515027
_cell_angle_alpha 108.50382951
_cell_angle_beta 91.38155874
_cell_angle_gamma 113.71642866
_space_group_... |
MoveAtomAction | f932d2db-fa1d-4c57-91ad-5552b9dd2add | mp-573073 | Move the atom at index 10 by [-1.952 0.925 1.034] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs14Cu12F38
_chemical_formula_sum "Cs14 Cu12 F38"
_cell_length_a 6.25390924
_cell_length_b 11.44072763
_cell_length_c 15.851694559999999
_cell_angle_alpha 82.62092964000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... | data_image0
_chemical_formula_structural Cs14Cu12F38
_chemical_formula_sum "Cs14 Cu12 F38"
_cell_length_a 6.25390924
_cell_length_b 11.44072763
_cell_length_c 15.851694559999999
_cell_angle_alpha 82.62092964000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
MoveAtomAction | dcf59247-62b0-4529-8c30-714a89662fd6 | mp-1226157 | Move the atom at index 11 by [-1.201 -0.814 1.713] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2TiW3O12
_chemical_formula_sum "Cs2 Ti1 W3 O12"
_cell_length_a 7.25743517
_cell_length_b 7.25743517
_cell_length_c 7.257435400000001
_cell_angle_alpha 60.40379137000001
_cell_angle_beta 60.40379136999999
_cell_angle_gamma 60.40379... | data_image0
_chemical_formula_structural Cs2TiW3O12
_chemical_formula_sum "Cs2 Ti1 W3 O12"
_cell_length_a 7.25743517
_cell_length_b 7.25743517
_cell_length_c 7.257435400000001
_cell_angle_alpha 60.40379137000001
_cell_angle_beta 60.40379136999999
_cell_angle_gamma 60.40379... |
MoveAtomAction | d1744c3e-3367-400b-b947-59f9e1dfc80a | mp-1188640 | Move the atom at index 9 by [-4.057 -1.316 -0.34 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr10Sn6As2
_chemical_formula_sum "Zr10 Sn6 As2"
_cell_length_a 8.66441951
_cell_length_b 8.66441951
_cell_length_c 5.95940015
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000950999998
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Zr10Sn6As2
_chemical_formula_sum "Zr10 Sn6 As2"
_cell_length_a 8.66441951
_cell_length_b 8.66441951
_cell_length_c 5.95940015
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000950999998
_space_group_name_H-M_a... |
MoveAtomAction | 0f90b5bb-deb7-4dd3-8431-b4d4afa6ad2a | mp-1175936 | Move the atom at index 14 by [-0.771 -2.99 -0.688] angstrom in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.099906
_cell_length_b 5.12897846
_cell_length_c 11.64324019
_cell_angle_alpha 91.01867296000002
_cell_angle_beta 91.61613060000002
_cell_angle_gamma 109.411958870... | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.099906
_cell_length_b 5.12897846
_cell_length_c 11.64324019
_cell_angle_alpha 91.01867296000002
_cell_angle_beta 91.61613060000002
_cell_angle_gamma 109.411958870... |
MoveAtomAction | 2ae569cb-55a5-48fc-8d94-e5dbf485be1b | mp-1041494 | Move the atom at index 13 by [0.773 0.227 0.879] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg2Cu4O8
_chemical_formula_sum "Mg2 Cu4 O8"
_cell_length_a 5.86500225
_cell_length_b 5.865002249999999
_cell_length_c 5.865002250000001
_cell_angle_alpha 118.43467495
_cell_angle_beta 118.31981506999999
_cell_angle_gamma 92.83448037... | data_image0
_chemical_formula_structural Mg2Cu4O8
_chemical_formula_sum "Mg2 Cu4 O8"
_cell_length_a 5.86500225
_cell_length_b 5.865002249999999
_cell_length_c 5.865002250000001
_cell_angle_alpha 118.43467495
_cell_angle_beta 118.31981506999999
_cell_angle_gamma 92.83448037... |
MoveAtomAction | bc2fb6ae-f5d5-45c2-895b-7ba5a0fa9d96 | mp-1041677 | Move the atom at index 19 by [ 1.845 -2.963 1.404] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg2Sn2P4O14
_chemical_formula_sum "Mg2 Sn2 P4 O14"
_cell_length_a 6.333439
_cell_length_b 6.756872040000001
_cell_length_c 6.9894803
_cell_angle_alpha 86.90014498000001
_cell_angle_beta 85.42612529
_cell_angle_gamma 68.22380661
_sp... | data_image0
_chemical_formula_structural Mg2Sn2P4O14
_chemical_formula_sum "Mg2 Sn2 P4 O14"
_cell_length_a 6.333439
_cell_length_b 6.756872040000001
_cell_length_c 6.9894803
_cell_angle_alpha 86.90014498000001
_cell_angle_beta 85.42612529
_cell_angle_gamma 68.22380661
_sp... |
MoveAtomAction | e29da54b-68b2-47f7-9f3f-5c20fe72cf3d | mp-561179 | Move the atom at index 17 by [ 5.014 -1.512 0.924] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba8Cu4I4O8
_chemical_formula_sum "Ba8 Cu4 I4 O8"
_cell_length_a 4.44409499
_cell_length_b 11.08544927
_cell_length_c 14.130622020000002
_cell_angle_alpha 88.26392371999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... | data_image0
_chemical_formula_structural Ba8Cu4I4O8
_chemical_formula_sum "Ba8 Cu4 I4 O8"
_cell_length_a 4.44409499
_cell_length_b 11.08544927
_cell_length_c 14.130622020000002
_cell_angle_alpha 88.26392371999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
MoveAtomAction | 96c25a72-77c9-46ca-9798-af831677e67b | mp-755245 | Move the atom at index 4 by [ 0.336 -0.432 2.267] 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 | a850e995-8250-417c-8cfd-61e372f0720e | mp-1042982 | Move the atom at index 32 by [-1.271 1.243 -3.58 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Ti4Ge8O24
_chemical_formula_sum "Ca4 Ti4 Ge8 O24"
_cell_length_a 8.694751
_cell_length_b 5.417338
_cell_length_c 12.18759108
_cell_angle_alpha 77.25828107
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ca4Ti4Ge8O24
_chemical_formula_sum "Ca4 Ti4 Ge8 O24"
_cell_length_a 8.694751
_cell_length_b 5.417338
_cell_length_c 12.18759108
_cell_angle_alpha 77.25828107
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAtomAction | ced8b186-af87-4a6f-afed-f58f5c3de024 | mp-557730 | Move the atom at index 6 by [-0.499 -1.188 1.431] angstrom in the cif file. | data_image0
_chemical_formula_structural Dy2P6O18
_chemical_formula_sum "Dy2 P6 O18"
_cell_length_a 7.85087047
_cell_length_b 7.85087047
_cell_length_c 10.04511306
_cell_angle_alpha 56.61469013000001
_cell_angle_beta 56.61469013000001
_cell_angle_gamma 50.74411487
_space_... | data_image0
_chemical_formula_structural Dy2P6O18
_chemical_formula_sum "Dy2 P6 O18"
_cell_length_a 7.85087047
_cell_length_b 7.85087047
_cell_length_c 10.04511306
_cell_angle_alpha 56.61469013000001
_cell_angle_beta 56.61469013000001
_cell_angle_gamma 50.74411487
_space_... |
MoveAtomAction | e09c073f-a998-4460-9751-44b593242fca | mp-1225213 | Move the atom at index 12 by [-0.78 -4.037 0.769] angstrom in the cif file. | data_image0
_chemical_formula_structural Gd16Mg2Al2Ni4
_chemical_formula_sum "Gd16 Mg2 Al2 Ni4"
_cell_length_a 9.63804673
_cell_length_b 9.64592505
_cell_length_c 9.63761693
_cell_angle_alpha 89.97712148
_cell_angle_beta 59.58567098
_cell_angle_gamma 119.59453814
_space_g... | data_image0
_chemical_formula_structural Gd16Mg2Al2Ni4
_chemical_formula_sum "Gd16 Mg2 Al2 Ni4"
_cell_length_a 9.63804673
_cell_length_b 9.64592505
_cell_length_c 9.63761693
_cell_angle_alpha 89.97712148
_cell_angle_beta 59.58567098
_cell_angle_gamma 119.59453814
_space_g... |
MoveAtomAction | d625acce-ff61-4e86-b4d2-607d4494fb3d | mp-1195660 | Move the atom at index 6 by [ 1.733 2.839 -1.053] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba8Ga2B20H14O48
_chemical_formula_sum "Ba8 Ga2 B20 H14 O48"
_cell_length_a 7.11976946
_cell_length_b 7.11976946
_cell_length_c 22.965198059999995
_cell_angle_alpha 86.9106116
_cell_angle_beta 86.9106116
_cell_angle_gamma 120.1933492... | data_image0
_chemical_formula_structural Ba8Ga2B20H14O48
_chemical_formula_sum "Ba8 Ga2 B20 H14 O48"
_cell_length_a 7.11976946
_cell_length_b 7.11976946
_cell_length_c 22.965198059999995
_cell_angle_alpha 86.9106116
_cell_angle_beta 86.9106116
_cell_angle_gamma 120.1933492... |
MoveAtomAction | 1f69ace7-0d02-41dd-9fd6-4a49497989c3 | mp-1220398 | Move the atom at index 0 by [-0.973 3.077 -0.775] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb2Mo2S6
_chemical_formula_sum "Nb2 Mo2 S6"
_cell_length_a 3.28209
_cell_length_b 6.269142
_cell_length_c 8.80014441
_cell_angle_alpha 75.81521402
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Nb2Mo2S6
_chemical_formula_sum "Nb2 Mo2 S6"
_cell_length_a 3.28209
_cell_length_b 6.269142
_cell_length_c 8.80014441
_cell_angle_alpha 75.81521402
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveAtomAction | ff9554c0-088a-4344-91ff-4b7666e40099 | mp-1358572 | Move the atom at index 31 by [-2.114 0.193 0.517] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr12O24
_chemical_formula_sum "Cr12 O24"
_cell_length_a 5.9435968
_cell_length_b 5.94991424
_cell_length_c 17.67472717
_cell_angle_alpha 59.62416718
_cell_angle_beta 59.74294971
_cell_angle_gamma 59.995245370000006
_space_group_nam... | data_image0
_chemical_formula_structural Cr12O24
_chemical_formula_sum "Cr12 O24"
_cell_length_a 5.9435968
_cell_length_b 5.94991424
_cell_length_c 17.67472717
_cell_angle_alpha 59.62416718
_cell_angle_beta 59.74294971
_cell_angle_gamma 59.995245370000006
_space_group_nam... |
MoveAtomAction | 4d71dd91-ad8f-4b3c-a017-e0237df33db1 | mp-1219272 | Move the atom at index 9 by [1.057 1.997 0.545] angstrom in the cif file. | data_image0
_chemical_formula_structural Sm4CrFe33C4
_chemical_formula_sum "Sm4 Cr1 Fe33 C4"
_cell_length_a 6.50403639
_cell_length_b 6.48021192
_cell_length_c 13.00634797
_cell_angle_alpha 83.55663481
_cell_angle_beta 83.5493849
_cell_angle_gamma 83.68356637
_space_group... | data_image0
_chemical_formula_structural Sm4CrFe33C4
_chemical_formula_sum "Sm4 Cr1 Fe33 C4"
_cell_length_a 6.50403639
_cell_length_b 6.48021192
_cell_length_c 13.00634797
_cell_angle_alpha 83.55663481
_cell_angle_beta 83.5493849
_cell_angle_gamma 83.68356637
_space_group... |
MoveAtomAction | 4d7904aa-e77d-40c5-979a-0e90c5fbfe87 | mp-1041677 | Move the atom at index 19 by [-5.053 -0.944 -2.197] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg2Sn2P4O14
_chemical_formula_sum "Mg2 Sn2 P4 O14"
_cell_length_a 6.333439
_cell_length_b 6.756872040000001
_cell_length_c 6.9894803
_cell_angle_alpha 86.90014498000001
_cell_angle_beta 85.42612529
_cell_angle_gamma 68.22380661
_sp... | data_image0
_chemical_formula_structural Mg2Sn2P4O14
_chemical_formula_sum "Mg2 Sn2 P4 O14"
_cell_length_a 6.333439
_cell_length_b 6.756872040000001
_cell_length_c 6.9894803
_cell_angle_alpha 86.90014498000001
_cell_angle_beta 85.42612529
_cell_angle_gamma 68.22380661
_sp... |
MoveAtomAction | fef90250-8b2e-43c8-bcc4-a38e9ec884f1 | mp-765137 | Move the atom at index 35 by [-2.092 0.922 -3.125] angstrom in the cif file. | data_image0
_chemical_formula_structural Li10V6P16O58
_chemical_formula_sum "Li10 V6 P16 O58"
_cell_length_a 9.775976
_cell_length_b 9.78511963
_cell_length_c 14.093324310000002
_cell_angle_alpha 89.79001539000001
_cell_angle_beta 89.60093575
_cell_angle_gamma 60.392735199... | data_image0
_chemical_formula_structural Li10V6P16O58
_chemical_formula_sum "Li10 V6 P16 O58"
_cell_length_a 9.775976
_cell_length_b 9.78511963
_cell_length_c 14.093324310000002
_cell_angle_alpha 89.79001539000001
_cell_angle_beta 89.60093575
_cell_angle_gamma 60.392735199... |
MoveAtomAction | e89493e6-23b1-4a85-8428-ffff31b60e84 | mp-14215 | Move the atom at index 4 by [-0.191 3.75 1.215] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba32Ge8P32
_chemical_formula_sum "Ba32 Ge8 P32"
_cell_length_a 13.224191
_cell_length_b 13.224191
_cell_length_c 13.224191
_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 Ba32Ge8P32
_chemical_formula_sum "Ba32 Ge8 P32"
_cell_length_a 13.224191
_cell_length_b 13.224191
_cell_length_c 13.224191
_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 | 8e5bbede-43fb-4f67-96db-f99b2f1fef0a | mp-1225501 | Move the atom at index 4 by [ 1.019 -1.16 0.034] angstrom in the cif file. | data_image0
_chemical_formula_structural Dy6Al6Fe12
_chemical_formula_sum "Dy6 Al6 Fe12"
_cell_length_a 5.27242289
_cell_length_b 5.27242289
_cell_length_c 16.203754
_cell_angle_alpha 89.99993312
_cell_angle_beta 90.00006688
_cell_angle_gamma 119.98512844000001
_space_gro... | data_image0
_chemical_formula_structural Dy6Al6Fe12
_chemical_formula_sum "Dy6 Al6 Fe12"
_cell_length_a 5.27242289
_cell_length_b 5.27242289
_cell_length_c 16.203754
_cell_angle_alpha 89.99993312
_cell_angle_beta 90.00006688
_cell_angle_gamma 119.98512844000001
_space_gro... |
MoveAtomAction | 00daaf47-93c0-43fd-88cd-ef03ef99b263 | mp-1040411 | Move the atom at index 49 by [-1.518 1.618 0.277] angstrom in the cif file. | data_image0
_chemical_formula_structural CsHfMg30O31
_chemical_formula_sum "Cs1 Hf1 Mg30 O31"
_cell_length_a 8.66402699
_cell_length_b 8.77212617
_cell_length_c 8.770686989999998
_cell_angle_alpha 89.9996359
_cell_angle_beta 89.99991935999999
_cell_angle_gamma 90.00112454
... | data_image0
_chemical_formula_structural CsHfMg30O31
_chemical_formula_sum "Cs1 Hf1 Mg30 O31"
_cell_length_a 8.66402699
_cell_length_b 8.77212617
_cell_length_c 8.770686989999998
_cell_angle_alpha 89.9996359
_cell_angle_beta 89.99991935999999
_cell_angle_gamma 90.00112454
... |
MoveAtomAction | bb43ef49-2745-44b4-8533-52d3d9f400c3 | mp-2231482 | Move the atom at index 1 by [ 0.43 5.19 -0.231] angstrom in the cif file. | data_image0
_chemical_formula_structural MgCo6O8F4
_chemical_formula_sum "Mg1 Co6 O8 F4"
_cell_length_a 8.08584555
_cell_length_b 5.65752565
_cell_length_c 5.82326752
_cell_angle_alpha 65.24668026
_cell_angle_beta 63.46810311000001
_cell_angle_gamma 64.54330281
_space_gro... | data_image0
_chemical_formula_structural MgCo6O8F4
_chemical_formula_sum "Mg1 Co6 O8 F4"
_cell_length_a 8.08584555
_cell_length_b 5.65752565
_cell_length_c 5.82326752
_cell_angle_alpha 65.24668026
_cell_angle_beta 63.46810311000001
_cell_angle_gamma 64.54330281
_space_gro... |
MoveAtomAction | 13736bad-9224-4980-9595-b3dd7d89a3dc | mp-1222538 | Move the atom at index 11 by [ 3.463 -0.907 1.287] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2V6O8
_chemical_formula_sum "Li2 V6 O8"
_cell_length_a 4.18470949
_cell_length_b 7.842257359999999
_cell_length_c 5.146401900000001
_cell_angle_alpha 89.66758232999999
_cell_angle_beta 113.96656798
_cell_angle_gamma 74.55276536
_... | data_image0
_chemical_formula_structural Li2V6O8
_chemical_formula_sum "Li2 V6 O8"
_cell_length_a 4.18470949
_cell_length_b 7.842257359999999
_cell_length_c 5.146401900000001
_cell_angle_alpha 89.66758232999999
_cell_angle_beta 113.96656798
_cell_angle_gamma 74.55276536
_... |
MoveAtomAction | 0eabd097-5799-4419-adc7-d10d13495535 | mp-1223827 | Move the atom at index 8 by [ 0.569 -1.619 -0.488] angstrom in the cif file. | data_image0
_chemical_formula_structural K2NaNbO2F4
_chemical_formula_sum "K2 Na1 Nb1 O2 F4"
_cell_length_a 6.08373758
_cell_length_b 6.08373758
_cell_length_c 6.08373758
_cell_angle_alpha 119.25012591
_cell_angle_beta 119.25012591
_cell_angle_gamma 91.30380248
_space_gro... | data_image0
_chemical_formula_structural K2NaNbO2F4
_chemical_formula_sum "K2 Na1 Nb1 O2 F4"
_cell_length_a 6.08373758
_cell_length_b 6.08373758
_cell_length_c 6.08373758
_cell_angle_alpha 119.25012591
_cell_angle_beta 119.25012591
_cell_angle_gamma 91.30380248
_space_gro... |
MoveAtomAction | 4f09cdc5-acb2-4642-bf71-56a7940086bb | mp-28988 | Move the atom at index 9 by [-0.31 1.228 0.132] angstrom in the cif file. | data_image0
_chemical_formula_structural In28Br36
_chemical_formula_sum "In28 Br36"
_cell_length_a 12.921311
_cell_length_b 12.921311
_cell_length_c 12.921311
_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 In28Br36
_chemical_formula_sum "In28 Br36"
_cell_length_a 12.921311
_cell_length_b 12.921311
_cell_length_c 12.921311
_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 | b5c8cd87-36f7-423b-93c7-893fbeebc981 | mp-755971 | Move the atom at index 2 by [ 3.223 -1.426 1.102] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Mn3TeO8
_chemical_formula_sum "Li2 Mn3 Te1 O8"
_cell_length_a 6.23943989
_cell_length_b 6.24039368
_cell_length_c 6.23967462
_cell_angle_alpha 58.58024214
_cell_angle_beta 58.56465626999998
_cell_angle_gamma 58.57663508
_space_g... | data_image0
_chemical_formula_structural Li2Mn3TeO8
_chemical_formula_sum "Li2 Mn3 Te1 O8"
_cell_length_a 6.23943989
_cell_length_b 6.24039368
_cell_length_c 6.23967462
_cell_angle_alpha 58.58024214
_cell_angle_beta 58.56465626999998
_cell_angle_gamma 58.57663508
_space_g... |
MoveAtomAction | 49d61bce-3a61-41d7-b83b-ec19c23b0b31 | mp-1331701 | Move the atom at index 9 by [-0.158 -1.69 1.899] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4Ta2Sn2O12
_chemical_formula_sum "Mg4 Ta2 Sn2 O12"
_cell_length_a 7.822508
_cell_length_b 5.453126
_cell_length_c 5.5392749100000005
_cell_angle_alpha 88.0051843
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Mg4Ta2Sn2O12
_chemical_formula_sum "Mg4 Ta2 Sn2 O12"
_cell_length_a 7.822508
_cell_length_b 5.453126
_cell_length_c 5.5392749100000005
_cell_angle_alpha 88.0051843
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveAtomAction | 652bb72f-14a4-4112-9b98-8988368460fc | mp-775212 | Move the atom at index 3 by [ 2.439 2.736 -0.977] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn2V4P6O24
_chemical_formula_sum "Mn2 V4 P6 O24"
_cell_length_a 8.63937039
_cell_length_b 8.639370389999998
_cell_length_c 8.63937038
_cell_angle_alpha 59.98629868
_cell_angle_beta 59.98629868
_cell_angle_gamma 59.986289840000005
_... | data_image0
_chemical_formula_structural Mn2V4P6O24
_chemical_formula_sum "Mn2 V4 P6 O24"
_cell_length_a 8.63937039
_cell_length_b 8.639370389999998
_cell_length_c 8.63937038
_cell_angle_alpha 59.98629868
_cell_angle_beta 59.98629868
_cell_angle_gamma 59.986289840000005
_... |
MoveAtomAction | a7fd8047-0701-48e8-b61b-e99540e4075f | mp-726132 | Move the atom at index 11 by [0.963 2.049 0.829] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta2N4Cl10
_chemical_formula_sum "Ta2 N4 Cl10"
_cell_length_a 10.54070225
_cell_length_b 10.54070225
_cell_length_c 10.540702249999999
_cell_angle_alpha 140.02971360000004
_cell_angle_beta 140.02971360000004
_cell_angle_gamma 57.8081... | data_image0
_chemical_formula_structural Ta2N4Cl10
_chemical_formula_sum "Ta2 N4 Cl10"
_cell_length_a 10.54070225
_cell_length_b 10.54070225
_cell_length_c 10.540702249999999
_cell_angle_alpha 140.02971360000004
_cell_angle_beta 140.02971360000004
_cell_angle_gamma 57.8081... |
MoveAtomAction | 95aa5cde-4886-4ebe-9bfa-ae46a76e3896 | mp-1194895 | Move the atom at index 23 by [1.604 0.327 0.991] angstrom in the cif file. | data_image0
_chemical_formula_structural Th8Te12Mo4O52
_chemical_formula_sum "Th8 Te12 Mo4 O52"
_cell_length_a 7.191032
_cell_length_b 11.50721
_cell_length_c 14.22629756
_cell_angle_alpha 89.42976733999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Th8Te12Mo4O52
_chemical_formula_sum "Th8 Te12 Mo4 O52"
_cell_length_a 7.191032
_cell_length_b 11.50721
_cell_length_c 14.22629756
_cell_angle_alpha 89.42976733999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
MoveAtomAction | fa8d7e72-69e4-43cf-8905-87c85c251ef1 | mp-726132 | Move the atom at index 7 by [-3.16 1.32 -0.786] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta2N4Cl10
_chemical_formula_sum "Ta2 N4 Cl10"
_cell_length_a 10.54070225
_cell_length_b 10.54070225
_cell_length_c 10.540702249999999
_cell_angle_alpha 140.02971360000004
_cell_angle_beta 140.02971360000004
_cell_angle_gamma 57.8081... | data_image0
_chemical_formula_structural Ta2N4Cl10
_chemical_formula_sum "Ta2 N4 Cl10"
_cell_length_a 10.54070225
_cell_length_b 10.54070225
_cell_length_c 10.540702249999999
_cell_angle_alpha 140.02971360000004
_cell_angle_beta 140.02971360000004
_cell_angle_gamma 57.8081... |
MoveAtomAction | 0370811f-7936-4069-8484-e533f7e57654 | mp-1111080 | Move the atom at index 6 by [-4.154 -4.246 0.731] angstrom in the cif file. | data_image0
_chemical_formula_structural K3GaF6
_chemical_formula_sum "K3 Ga1 F6"
_cell_length_a 6.15047484
_cell_length_b 6.15047484
_cell_length_c 6.15047484
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_spa... | data_image0
_chemical_formula_structural K3GaF6
_chemical_formula_sum "K3 Ga1 F6"
_cell_length_a 6.15047484
_cell_length_b 6.15047484
_cell_length_c 6.15047484
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_spa... |
MoveAtomAction | 4cb74616-a1e3-463f-8f80-7943ea2ea04c | mp-1182503 | Move the atom at index 16 by [-2.269 -5.357 -0.964] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe16O34
_chemical_formula_sum "Fe16 O34"
_cell_length_a 5.88302
_cell_length_b 10.13313594
_cell_length_c 10.4412778
_cell_angle_alpha 90.96816243
_cell_angle_beta 90.07135306999999
_cell_angle_gamma 90.0247319
_space_group_name_H-... | data_image0
_chemical_formula_structural Fe16O34
_chemical_formula_sum "Fe16 O34"
_cell_length_a 5.88302
_cell_length_b 10.13313594
_cell_length_c 10.4412778
_cell_angle_alpha 90.96816243
_cell_angle_beta 90.07135306999999
_cell_angle_gamma 90.0247319
_space_group_name_H-... |
MoveAtomAction | 6807013e-261c-49da-a1ee-5ae865a06483 | mp-767632 | Move the atom at index 20 by [ 0.606 4.068 -0.683] angstrom in the cif file. | data_image0
_chemical_formula_structural V4P4O16
_chemical_formula_sum "V4 P4 O16"
_cell_length_a 4.69951386
_cell_length_b 8.649972239999999
_cell_length_c 6.47330008
_cell_angle_alpha 89.99962611
_cell_angle_beta 89.99705793
_cell_angle_gamma 89.99984569
_space_group_na... | data_image0
_chemical_formula_structural V4P4O16
_chemical_formula_sum "V4 P4 O16"
_cell_length_a 4.69951386
_cell_length_b 8.649972239999999
_cell_length_c 6.47330008
_cell_angle_alpha 89.99962611
_cell_angle_beta 89.99705793
_cell_angle_gamma 89.99984569
_space_group_na... |
MoveAtomAction | 6d3c9b4f-ce2a-477b-bcaa-d2b0307674a8 | mp-1191979 | Move the atom at index 17 by [-2.141 1.533 1.437] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb4Tl4F16
_chemical_formula_sum "Rb4 Tl4 F16"
_cell_length_a 6.338922
_cell_length_b 8.451161
_cell_length_c 8.626718
_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 Rb4Tl4F16
_chemical_formula_sum "Rb4 Tl4 F16"
_cell_length_a 6.338922
_cell_length_b 8.451161
_cell_length_c 8.626718
_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 | a3caa044-e097-4b0b-9e03-8b5e53a0a20f | mp-1095658 | Move the atom at index 2 by [ 0.754 -2.067 -2.618] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb8Au4
_chemical_formula_sum "Tb8 Au4"
_cell_length_a 4.97480589
_cell_length_b 7.11026814
_cell_length_c 8.92548935
_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 Tb8Au4
_chemical_formula_sum "Tb8 Au4"
_cell_length_a 4.97480589
_cell_length_b 7.11026814
_cell_length_c 8.92548935
_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... |
MoveAtomAction | a79be5ae-dc35-4f95-8a44-385198462af9 | mp-831055 | Move the atom at index 41 by [2.772 0.234 1.639] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Cr4P8O28
_chemical_formula_sum "Li4 Cr4 P8 O28"
_cell_length_a 8.449545
_cell_length_b 6.999415
_cell_length_c 9.187202510000002
_cell_angle_alpha 67.79545209
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li4Cr4P8O28
_chemical_formula_sum "Li4 Cr4 P8 O28"
_cell_length_a 8.449545
_cell_length_b 6.999415
_cell_length_c 9.187202510000002
_cell_angle_alpha 67.79545209
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
MoveAtomAction | 04cc61d2-1995-4ec6-bce0-c2cc6ba84bf7 | mp-774237 | Move the atom at index 16 by [ 1.954 2.403 -1.196] angstrom in the cif file. | data_image0
_chemical_formula_structural Li5Cr2Ni5O12
_chemical_formula_sum "Li5 Cr2 Ni5 O12"
_cell_length_a 5.11569181
_cell_length_b 5.11569181
_cell_length_c 9.77111095
_cell_angle_alpha 84.65273787000001
_cell_angle_beta 84.65273787000001
_cell_angle_gamma 121.29044020... | data_image0
_chemical_formula_structural Li5Cr2Ni5O12
_chemical_formula_sum "Li5 Cr2 Ni5 O12"
_cell_length_a 5.11569181
_cell_length_b 5.11569181
_cell_length_c 9.77111095
_cell_angle_alpha 84.65273787000001
_cell_angle_beta 84.65273787000001
_cell_angle_gamma 121.29044020... |
MoveAtomAction | 290f0229-fe11-48fb-8f68-2923e9448871 | mp-1226157 | Move the atom at index 11 by [-1.451 3.35 -0.765] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2TiW3O12
_chemical_formula_sum "Cs2 Ti1 W3 O12"
_cell_length_a 7.25743517
_cell_length_b 7.25743517
_cell_length_c 7.257435400000001
_cell_angle_alpha 60.40379137000001
_cell_angle_beta 60.40379136999999
_cell_angle_gamma 60.40379... | data_image0
_chemical_formula_structural Cs2TiW3O12
_chemical_formula_sum "Cs2 Ti1 W3 O12"
_cell_length_a 7.25743517
_cell_length_b 7.25743517
_cell_length_c 7.257435400000001
_cell_angle_alpha 60.40379137000001
_cell_angle_beta 60.40379136999999
_cell_angle_gamma 60.40379... |
MoveAtomAction | 70625d26-8139-402b-b175-937135869b2c | mp-1189135 | Move the atom at index 16 by [3.12 0.825 5.825] angstrom in the cif file. | data_image0
_chemical_formula_structural Dy6Cu6Sb8
_chemical_formula_sum "Dy6 Cu6 Sb8"
_cell_length_a 8.26057995
_cell_length_b 8.26057995
_cell_length_c 8.26057995
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_na... | data_image0
_chemical_formula_structural Dy6Cu6Sb8
_chemical_formula_sum "Dy6 Cu6 Sb8"
_cell_length_a 8.26057995
_cell_length_b 8.26057995
_cell_length_c 8.26057995
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_na... |
MoveAtomAction | 5f2d6b71-de26-474c-83b0-7b567caf7c34 | mp-1211273 | Move the atom at index 11 by [1.566 2.406 2.018] angstrom in the cif file. | data_image0
_chemical_formula_structural La4Cr4Se8O4
_chemical_formula_sum "La4 Cr4 Se8 O4"
_cell_length_a 3.898326
_cell_length_b 8.78312
_cell_length_c 11.70561
_cell_angle_alpha 90.00068837
_cell_angle_beta 89.99871699
_cell_angle_gamma 90.00050427
_space_group_name_H-... | data_image0
_chemical_formula_structural La4Cr4Se8O4
_chemical_formula_sum "La4 Cr4 Se8 O4"
_cell_length_a 3.898326
_cell_length_b 8.78312
_cell_length_c 11.70561
_cell_angle_alpha 90.00068837
_cell_angle_beta 89.99871699
_cell_angle_gamma 90.00050427
_space_group_name_H-... |
MoveAtomAction | dfede4c1-1fb4-4932-8574-b87da8ebb53c | mp-849289 | Move the atom at index 3 by [ 0.97 -2.072 -2.129] angstrom in the cif file. | data_image0
_chemical_formula_structural Na36Co12O36
_chemical_formula_sum "Na36 Co12 O36"
_cell_length_a 8.2560515
_cell_length_b 8.2560515
_cell_length_c 16.348313
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.78153075
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Na36Co12O36
_chemical_formula_sum "Na36 Co12 O36"
_cell_length_a 8.2560515
_cell_length_b 8.2560515
_cell_length_c 16.348313
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.78153075
_space_group_name_H-M_alt "P... |
MoveAtomAction | 87ef97d6-8481-4ae6-a88f-90a1ce85b512 | mp-1006616 | Move the atom at index 10 by [-4.305 -2.761 0.395] angstrom in the cif file. | data_image0
_chemical_formula_structural Pr2N6O30
_chemical_formula_sum "Pr2 N6 O30"
_cell_length_a 9.09463367
_cell_length_b 11.70079589
_cell_length_c 7.073050710000001
_cell_angle_alpha 91.50830443999999
_cell_angle_beta 115.14060857999999
_cell_angle_gamma 109.12863527... | data_image0
_chemical_formula_structural Pr2N6O30
_chemical_formula_sum "Pr2 N6 O30"
_cell_length_a 9.09463367
_cell_length_b 11.70079589
_cell_length_c 7.073050710000001
_cell_angle_alpha 91.50830443999999
_cell_angle_beta 115.14060857999999
_cell_angle_gamma 109.12863527... |
MoveAtomAction | 0ea71a90-de13-42df-8c88-bba6c7ce1de6 | mp-505098 | Move the atom at index 41 by [-1.347 2.717 -1.704] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe8Se12O48
_chemical_formula_sum "Fe8 Se12 O48"
_cell_length_a 8.93422158
_cell_length_b 8.57045447
_cell_length_c 14.581498490000001
_cell_angle_alpha 55.32907682
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Fe8Se12O48
_chemical_formula_sum "Fe8 Se12 O48"
_cell_length_a 8.93422158
_cell_length_b 8.57045447
_cell_length_c 14.581498490000001
_cell_angle_alpha 55.32907682
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveAtomAction | 43184c72-fe42-47da-9c7a-05d09e9333ff | mp-1222777 | Move the atom at index 16 by [-0.619 0.22 1.48 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2CePrMo4O16
_chemical_formula_sum "Li2 Ce1 Pr1 Mo4 O16"
_cell_length_a 5.322373
_cell_length_b 5.322373
_cell_length_c 11.537255
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li2CePrMo4O16
_chemical_formula_sum "Li2 Ce1 Pr1 Mo4 O16"
_cell_length_a 5.322373
_cell_length_b 5.322373
_cell_length_c 11.537255
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveAtomAction | 9dd6c73f-29e9-4f15-a831-ee2220c282c4 | mp-1080201 | Move the atom at index 18 by [ 0.823 -0.05 -1.365] angstrom in the cif file. | data_image0
_chemical_formula_structural Re12N16
_chemical_formula_sum "Re12 N16"
_cell_length_a 5.274998
_cell_length_b 5.873241
_cell_length_c 10.053127
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_I... | data_image0
_chemical_formula_structural Re12N16
_chemical_formula_sum "Re12 N16"
_cell_length_a 5.274998
_cell_length_b 5.873241
_cell_length_c 10.053127
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_I... |
MoveAtomAction | efc7ad1a-74e4-4a0d-8c3d-6f72340c4535 | mp-15888 | Move the atom at index 3 by [ 1.549 0.104 -4.41 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2YIrO6
_chemical_formula_sum "Ba2 Y1 Ir1 O6"
_cell_length_a 5.97619074
_cell_length_b 5.97619074
_cell_length_c 5.97619074
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Ba2YIrO6
_chemical_formula_sum "Ba2 Y1 Ir1 O6"
_cell_length_a 5.97619074
_cell_length_b 5.97619074
_cell_length_c 5.97619074
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... |
MoveAtomAction | b1784a2a-985e-4c90-b537-20945b6b7357 | mp-1219950 | Move the atom at index 19 by [ 0.538 -0.881 0.504] angstrom in the cif file. | data_image0
_chemical_formula_structural Pr6Ni3Sn14
_chemical_formula_sum "Pr6 Ni3 Sn14"
_cell_length_a 4.58342185
_cell_length_b 4.57783619
_cell_length_c 27.59267038
_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 Pr6Ni3Sn14
_chemical_formula_sum "Pr6 Ni3 Sn14"
_cell_length_a 4.58342185
_cell_length_b 4.57783619
_cell_length_c 27.59267038
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveAtomAction | b20720d9-77c6-45b3-88f2-aca5b4dda12a | mp-770748 | Move the atom at index 22 by [-0.995 0.019 0.945] angstrom in the cif file. | data_image0
_chemical_formula_structural Gd12Ta4O28
_chemical_formula_sum "Gd12 Ta4 O28"
_cell_length_a 7.571951
_cell_length_b 7.613442
_cell_length_c 10.757026
_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 Gd12Ta4O28
_chemical_formula_sum "Gd12 Ta4 O28"
_cell_length_a 7.571951
_cell_length_b 7.613442
_cell_length_c 10.757026
_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 | c0147d9d-498e-4d56-94d0-1bd12a24408e | mp-30385 | Move the atom at index 9 by [ 1.735 -0.07 0.686] angstrom in the cif file. | data_image0
_chemical_formula_structural Ho8Au4
_chemical_formula_sum "Ho8 Au4"
_cell_length_a 4.92128578
_cell_length_b 7.05105613
_cell_length_c 8.82328982
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.00017434
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Ho8Au4
_chemical_formula_sum "Ho8 Au4"
_cell_length_a 4.92128578
_cell_length_b 7.05105613
_cell_length_c 8.82328982
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.00017434
_space_group_name_H-M_alt "P 1"
_spa... |
MoveAtomAction | 0212e6bb-df66-430e-8d74-904ecd9ddce4 | mp-1214717 | Move the atom at index 46 by [ 1.166 3.465 -2.961] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba6Sr4Re6Cl2O30
_chemical_formula_sum "Ba6 Sr4 Re6 Cl2 O30"
_cell_length_a 10.90359366
_cell_length_b 10.90359366
_cell_length_c 7.820346
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999792
_space_group_name... | data_image0
_chemical_formula_structural Ba6Sr4Re6Cl2O30
_chemical_formula_sum "Ba6 Sr4 Re6 Cl2 O30"
_cell_length_a 10.90359366
_cell_length_b 10.90359366
_cell_length_c 7.820346
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999792
_space_group_name... |
MoveAtomAction | 5bb5ddef-5b96-4f51-be79-08d7527473a8 | mp-8829 | Move the atom at index 2 by [ 0.521 -2.166 1.556] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr4Ga4Se12
_chemical_formula_sum "Cr4 Ga4 Se12"
_cell_length_a 3.76641143
_cell_length_b 10.26003063
_cell_length_c 12.49218408
_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 Cr4Ga4Se12
_chemical_formula_sum "Cr4 Ga4 Se12"
_cell_length_a 3.76641143
_cell_length_b 10.26003063
_cell_length_c 12.49218408
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveAtomAction | f8c95789-5cb8-4d41-ac19-d8bfff8ed23b | mp-1174216 | Move the atom at index 2 by [-3.497 -0.947 -1.552] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn3CoO8
_chemical_formula_sum "Li4 Mn3 Co1 O8"
_cell_length_a 5.08903
_cell_length_b 5.8544980099999995
_cell_length_c 6.02502306
_cell_angle_alpha 61.61996908999999
_cell_angle_beta 77.13094463
_cell_angle_gamma 73.71722812
_sp... | data_image0
_chemical_formula_structural Li4Mn3CoO8
_chemical_formula_sum "Li4 Mn3 Co1 O8"
_cell_length_a 5.08903
_cell_length_b 5.8544980099999995
_cell_length_c 6.02502306
_cell_angle_alpha 61.61996908999999
_cell_angle_beta 77.13094463
_cell_angle_gamma 73.71722812
_sp... |
MoveAtomAction | 0b3513c9-40d3-4961-8157-c553652e0ffe | mp-558938 | Move the atom at index 67 by [-0.212 -2.525 0.103] angstrom in the cif file. | data_image0
_chemical_formula_structural Zn16Si4Te4Pb4O40
_chemical_formula_sum "Zn16 Si4 Te4 Pb4 O40"
_cell_length_a 6.622298
_cell_length_b 8.413329
_cell_length_c 15.842037
_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 Zn16Si4Te4Pb4O40
_chemical_formula_sum "Zn16 Si4 Te4 Pb4 O40"
_cell_length_a 6.622298
_cell_length_b 8.413329
_cell_length_c 15.842037
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAtomAction | a320adfc-a25d-425a-82ec-9300ee7131ad | mp-1194776 | Move the atom at index 18 by [-0.145 0.667 -0.111] angstrom in the cif file. | data_image0
_chemical_formula_structural Pu2N4O22
_chemical_formula_sum "Pu2 N4 O22"
_cell_length_a 7.364309
_cell_length_b 7.5824605499999995
_cell_length_c 10.34419625
_cell_angle_alpha 82.79390142
_cell_angle_beta 77.72640018
_cell_angle_gamma 67.92998995
_space_group_... | data_image0
_chemical_formula_structural Pu2N4O22
_chemical_formula_sum "Pu2 N4 O22"
_cell_length_a 7.364309
_cell_length_b 7.5824605499999995
_cell_length_c 10.34419625
_cell_angle_alpha 82.79390142
_cell_angle_beta 77.72640018
_cell_angle_gamma 67.92998995
_space_group_... |
MoveAtomAction | f6e6be46-6d73-43b1-9748-a4c9b4a32005 | mp-1199114 | Move the atom at index 10 by [-4.747 1.362 -0.413] angstrom in the cif file. | data_image0
_chemical_formula_structural Pu4P8H24C4O32
_chemical_formula_sum "Pu4 P8 H24 C4 O32"
_cell_length_a 5.337554
_cell_length_b 8.573383
_cell_length_c 17.099592490000003
_cell_angle_alpha 90.0
_cell_angle_beta 103.99888517999999
_cell_angle_gamma 90.0
_space_grou... | data_image0
_chemical_formula_structural Pu4P8H24C4O32
_chemical_formula_sum "Pu4 P8 H24 C4 O32"
_cell_length_a 5.337554
_cell_length_b 8.573383
_cell_length_c 17.099592490000003
_cell_angle_alpha 90.0
_cell_angle_beta 103.99888517999999
_cell_angle_gamma 90.0
_space_grou... |
MoveAtomAction | 8526abbc-dc57-42f9-ace6-a5490aa49bf4 | mp-2503 | Move the atom at index 17 by [ 1.848 0.232 -0.788] angstrom in the cif file. | data_image0
_chemical_formula_structural Pd14Se8
_chemical_formula_sum "Pd14 Se8"
_cell_length_a 5.30869759
_cell_length_b 7.03737506
_cell_length_c 10.36598178
_cell_angle_alpha 90.00116383
_cell_angle_beta 89.99922099
_cell_angle_gamma 89.99989283
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Pd14Se8
_chemical_formula_sum "Pd14 Se8"
_cell_length_a 5.30869759
_cell_length_b 7.03737506
_cell_length_c 10.36598178
_cell_angle_alpha 90.00116383
_cell_angle_beta 89.99922099
_cell_angle_gamma 89.99989283
_space_group_name_H-M_... |
MoveAtomAction | d9ce1504-012e-4d51-aac0-fb53cc83c6f9 | mp-1212795 | Move the atom at index 16 by [1.695 0.605 1.133] angstrom in the cif file. | data_image0
_chemical_formula_structural Eu4In4O12
_chemical_formula_sum "Eu4 In4 O12"
_cell_length_a 5.712293
_cell_length_b 5.996883
_cell_length_c 8.162569
_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 Eu4In4O12
_chemical_formula_sum "Eu4 In4 O12"
_cell_length_a 5.712293
_cell_length_b 5.996883
_cell_length_c 8.162569
_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 | 65273046-fc70-48aa-b4fb-4b3631391278 | mp-1235566 | Move the atom at index 17 by [-1.682 -0.045 -1.257] angstrom in the cif file. | data_image0
_chemical_formula_structural LiSm4Ti2Mn2O12
_chemical_formula_sum "Li1 Sm4 Ti2 Mn2 O12"
_cell_length_a 5.49944071
_cell_length_b 5.85226931
_cell_length_c 8.08076575
_cell_angle_alpha 90.68396232
_cell_angle_beta 92.62728011999998
_cell_angle_gamma 89.28498085
... | data_image0
_chemical_formula_structural LiSm4Ti2Mn2O12
_chemical_formula_sum "Li1 Sm4 Ti2 Mn2 O12"
_cell_length_a 5.49944071
_cell_length_b 5.85226931
_cell_length_c 8.08076575
_cell_angle_alpha 90.68396232
_cell_angle_beta 92.62728011999998
_cell_angle_gamma 89.28498085
... |
MoveAtomAction | 20023db3-3219-41ac-9661-6bb0e67a5472 | mp-18607 | Move the atom at index 17 by [ 0.422 -1.068 3.416] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn4Te6O16
_chemical_formula_sum "Mn4 Te6 O16"
_cell_length_a 6.96540129
_cell_length_b 6.96540129
_cell_length_c 11.850641309999999
_cell_angle_alpha 82.66473711
_cell_angle_beta 82.66473711
_cell_angle_gamma 45.40916687
_space_gro... | data_image0
_chemical_formula_structural Mn4Te6O16
_chemical_formula_sum "Mn4 Te6 O16"
_cell_length_a 6.96540129
_cell_length_b 6.96540129
_cell_length_c 11.850641309999999
_cell_angle_alpha 82.66473711
_cell_angle_beta 82.66473711
_cell_angle_gamma 45.40916687
_space_gro... |
MoveAtomAction | 14066045-ce1c-48dd-a8a6-8742fed2d240 | mp-1033383 | Move the atom at index 1 by [-0.134 2.393 -0.66 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg6NbCO8
_chemical_formula_sum "Mg6 Nb1 C1 O8"
_cell_length_a 9.31731571
_cell_length_b 4.19016084
_cell_length_c 4.19016084
_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 Mg6NbCO8
_chemical_formula_sum "Mg6 Nb1 C1 O8"
_cell_length_a 9.31731571
_cell_length_b 4.19016084
_cell_length_c 4.19016084
_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 | ac6352a1-45f1-49f7-a372-62063a3bb874 | mp-1100889 | Move the atom at index 14 by [1.158 3.707 1.287] angstrom in the cif file. | data_image0
_chemical_formula_structural Y6B6O14
_chemical_formula_sum "Y6 B6 O14"
_cell_length_a 4.02373971
_cell_length_b 4.02373915
_cell_length_c 25.141182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 123.87360996999999
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Y6B6O14
_chemical_formula_sum "Y6 B6 O14"
_cell_length_a 4.02373971
_cell_length_b 4.02373915
_cell_length_c 25.141182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 123.87360996999999
_space_group_name_H-M_alt "... |
MoveAtomAction | 74fde32b-a71c-4c4a-9f98-3da8a2508de5 | mp-530449 | Move the atom at index 0 by [ 2.453 -1.875 0.522] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca21As14O56
_chemical_formula_sum "Ca21 As14 O56"
_cell_length_a 14.25577019
_cell_length_b 14.255770190000002
_cell_length_c 14.255769929999998
_cell_angle_alpha 45.07982220000001
_cell_angle_beta 45.07982220000001
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Ca21As14O56
_chemical_formula_sum "Ca21 As14 O56"
_cell_length_a 14.25577019
_cell_length_b 14.255770190000002
_cell_length_c 14.255769929999998
_cell_angle_alpha 45.07982220000001
_cell_angle_beta 45.07982220000001
_cell_angle_gamma ... |
MoveAtomAction | 9d264981-b9c9-477b-b3ab-d62cdd767c11 | mp-1392236 | Move the atom at index 4 by [-2.882 0.858 0.545] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg2V2P2O10
_chemical_formula_sum "Mg2 V2 P2 O10"
_cell_length_a 5.306659
_cell_length_b 5.45143155
_cell_length_c 7.04879895
_cell_angle_alpha 105.51309762000001
_cell_angle_beta 104.48203936
_cell_angle_gamma 101.23646009
_space_g... | data_image0
_chemical_formula_structural Mg2V2P2O10
_chemical_formula_sum "Mg2 V2 P2 O10"
_cell_length_a 5.306659
_cell_length_b 5.45143155
_cell_length_c 7.04879895
_cell_angle_alpha 105.51309762000001
_cell_angle_beta 104.48203936
_cell_angle_gamma 101.23646009
_space_g... |
MoveAtomAction | 471686b0-237a-435b-87c9-c59142525072 | mp-5214 | Move the atom at index 31 by [-2.782 -1.769 1.553] 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... |
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