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 | 06fd6027-33a3-4b6b-b09f-df60f5f39a42 | mp-1516711 | Move the atom at index 18 by [-0.034 -1.521 -2.52 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr8Sm4Nb4O24
_chemical_formula_sum "Sr8 Sm4 Nb4 O24"
_cell_length_a 8.46943657
_cell_length_b 8.46943657
_cell_length_c 8.46943657
_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 Sr8Sm4Nb4O24
_chemical_formula_sum "Sr8 Sm4 Nb4 O24"
_cell_length_a 8.46943657
_cell_length_b 8.46943657
_cell_length_c 8.46943657
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveAtomAction | b4914e83-de84-41f6-957f-0b43d9be4a81 | mp-1224199 | Move the atom at index 6 by [-1.727 1.1 1.516] angstrom in the cif file. | data_image0
_chemical_formula_structural Ho12Co9
_chemical_formula_sum "Ho12 Co9"
_cell_length_a 4.04348636
_cell_length_b 11.13594434
_cell_length_c 11.13575248
_cell_angle_alpha 60.0033272
_cell_angle_beta 90.00003881
_cell_angle_gamma 90.00060509000001
_space_group_nam... | data_image0
_chemical_formula_structural Ho12Co9
_chemical_formula_sum "Ho12 Co9"
_cell_length_a 4.04348636
_cell_length_b 11.13594434
_cell_length_c 11.13575248
_cell_angle_alpha 60.0033272
_cell_angle_beta 90.00003881
_cell_angle_gamma 90.00060509000001
_space_group_nam... |
MoveAtomAction | ac9696f1-dfd4-4b2b-8bba-35cfff71be9a | mp-1173638 | Move the atom at index 31 by [-3.593 -0.229 -1.817] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr10CuRu4O20
_chemical_formula_sum "Sr10 Cu1 Ru4 O20"
_cell_length_a 8.88667462
_cell_length_b 8.886674619999999
_cell_length_c 8.88667462
_cell_angle_alpha 121.33064908000001
_cell_angle_beta 121.33064908000001
_cell_angle_gamma 87... | data_image0
_chemical_formula_structural Sr10CuRu4O20
_chemical_formula_sum "Sr10 Cu1 Ru4 O20"
_cell_length_a 8.88667462
_cell_length_b 8.886674619999999
_cell_length_c 8.88667462
_cell_angle_alpha 121.33064908000001
_cell_angle_beta 121.33064908000001
_cell_angle_gamma 87... |
MoveAtomAction | c17b3aaa-0a38-4e93-ab24-439fff59e71f | mp-642822 | Move the atom at index 6 by [ 0.022 -0.737 0.05 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4C8
_chemical_formula_sum "Ca4 C8"
_cell_length_a 6.69598787
_cell_length_b 7.744066819999999
_cell_length_c 4.05699111
_cell_angle_alpha 79.01721744
_cell_angle_beta 88.07361974999999
_cell_angle_gamma 70.84437664
_space_group_n... | data_image0
_chemical_formula_structural Ca4C8
_chemical_formula_sum "Ca4 C8"
_cell_length_a 6.69598787
_cell_length_b 7.744066819999999
_cell_length_c 4.05699111
_cell_angle_alpha 79.01721744
_cell_angle_beta 88.07361974999999
_cell_angle_gamma 70.84437664
_space_group_n... |
MoveAtomAction | 47c529ec-35bf-4adb-87b9-c05a6f04fd5a | mp-1218836 | Move the atom at index 14 by [ 1.592 1.684 -1.932] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2Eu2TlNi2O9
_chemical_formula_sum "Sr2 Eu2 Tl1 Ni2 O9"
_cell_length_a 15.24082335
_cell_length_b 15.235985369999998
_cell_length_c 3.81686703
_cell_angle_alpha 82.87753408
_cell_angle_beta 82.73342978000001
_cell_angle_gamma 14.38... | data_image0
_chemical_formula_structural Sr2Eu2TlNi2O9
_chemical_formula_sum "Sr2 Eu2 Tl1 Ni2 O9"
_cell_length_a 15.24082335
_cell_length_b 15.235985369999998
_cell_length_c 3.81686703
_cell_angle_alpha 82.87753408
_cell_angle_beta 82.73342978000001
_cell_angle_gamma 14.38... |
MoveAtomAction | c92ad128-a5a0-402b-9af9-4e7e04c54036 | mp-1111253 | Move the atom at index 4 by [ 1.259 1.759 -1.007] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2AlHgF6
_chemical_formula_sum "Na2 Al1 Hg1 F6"
_cell_length_a 6.106478
_cell_length_b 6.106478000000001
_cell_length_c 6.106478
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999999999... | data_image0
_chemical_formula_structural Na2AlHgF6
_chemical_formula_sum "Na2 Al1 Hg1 F6"
_cell_length_a 6.106478
_cell_length_b 6.106478000000001
_cell_length_c 6.106478
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999999999... |
MoveAtomAction | d7faf230-1781-4612-a762-207f89ea6895 | mp-1079634 | Move the atom at index 3 by [ 2.234 -0.677 -0.715] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb4Sn2Au4
_chemical_formula_sum "Tb4 Sn2 Au4"
_cell_length_a 7.91659809
_cell_length_b 7.916598089999999
_cell_length_c 3.75257681
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.9980375
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Tb4Sn2Au4
_chemical_formula_sum "Tb4 Sn2 Au4"
_cell_length_a 7.91659809
_cell_length_b 7.916598089999999
_cell_length_c 3.75257681
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.9980375
_space_group_name_H-M_alt ... |
MoveAtomAction | 939657ce-0556-477e-88c5-1260e01eed4f | mp-1035975 | Move the atom at index 21 by [ 2.926 -0.185 -0.522] angstrom in the cif file. | data_image0
_chemical_formula_structural YMg14SnO16
_chemical_formula_sum "Y1 Mg14 Sn1 O16"
_cell_length_a 8.842513
_cell_length_b 8.842513
_cell_length_c 4.451059
_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 YMg14SnO16
_chemical_formula_sum "Y1 Mg14 Sn1 O16"
_cell_length_a 8.842513
_cell_length_b 8.842513
_cell_length_c 4.451059
_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 | 50c2be2a-8dd8-4024-a4a0-f1b594fc2a05 | mp-2215839 | Move the atom at index 7 by [0.246 1.029 0.324] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2MgZrCrO6
_chemical_formula_sum "Sr2 Mg1 Zr1 Cr1 O6"
_cell_length_a 6.85052586
_cell_length_b 5.67316694
_cell_length_c 5.44648374
_cell_angle_alpha 90.22336113
_cell_angle_beta 118.44826585999999
_cell_angle_gamma 114.57133378999... | data_image0
_chemical_formula_structural Sr2MgZrCrO6
_chemical_formula_sum "Sr2 Mg1 Zr1 Cr1 O6"
_cell_length_a 6.85052586
_cell_length_b 5.67316694
_cell_length_c 5.44648374
_cell_angle_alpha 90.22336113
_cell_angle_beta 118.44826585999999
_cell_angle_gamma 114.57133378999... |
MoveAtomAction | d9c7572b-c5dc-4890-b2c6-aee53697b853 | mp-1213803 | Move the atom at index 6 by [-0.738 1.928 -0.817] angstrom in the cif file. | data_image0
_chemical_formula_structural Co2H12Br4
_chemical_formula_sum "Co2 H12 Br4"
_cell_length_a 7.34591159
_cell_length_b 4.967486
_cell_length_c 8.88894512
_cell_angle_alpha 90.0
_cell_angle_beta 96.30320412
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Co2H12Br4
_chemical_formula_sum "Co2 H12 Br4"
_cell_length_a 7.34591159
_cell_length_b 4.967486
_cell_length_c 8.88894512
_cell_angle_alpha 90.0
_cell_angle_beta 96.30320412
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveAtomAction | e65b0e65-ea23-4183-91ac-07360915bfe9 | mp-1019801 | Move the atom at index 11 by [-0.292 -0.63 -1.067] angstrom in the cif file. | data_image0
_chemical_formula_structural K8PO3
_chemical_formula_sum "K8 P1 O3"
_cell_length_a 6.855021
_cell_length_b 6.855021
_cell_length_c 6.855021
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_n... | data_image0
_chemical_formula_structural K8PO3
_chemical_formula_sum "K8 P1 O3"
_cell_length_a 6.855021
_cell_length_b 6.855021
_cell_length_c 6.855021
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_n... |
MoveAtomAction | 282eb1cd-bee4-4e33-8fb3-850402649b2a | mp-1112234 | Move the atom at index 4 by [ 1.85 -2.304 -1.402] angstrom in the cif file. | data_image0
_chemical_formula_structural K2GaHgF6
_chemical_formula_sum "K2 Ga1 Hg1 F6"
_cell_length_a 6.30962129
_cell_length_b 6.30962129
_cell_length_c 6.30962129
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural K2GaHgF6
_chemical_formula_sum "K2 Ga1 Hg1 F6"
_cell_length_a 6.30962129
_cell_length_b 6.30962129
_cell_length_c 6.30962129
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... |
MoveAtomAction | 73ee841a-da53-49c6-a6cc-e9214eeab511 | mp-862605 | Move the atom at index 20 by [3.633 2.076 0.544] 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 | 8d9a57f5-c411-4ea7-b1b2-4bc53cc1cf52 | mp-779472 | Move the atom at index 21 by [ 0.663 2.605 -1.04 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li10Cu2P4O16
_chemical_formula_sum "Li10 Cu2 P4 O16"
_cell_length_a 5.33075
_cell_length_b 6.21188206
_cell_length_c 9.952614719999998
_cell_angle_alpha 90.05458698
_cell_angle_beta 90.09321507
_cell_angle_gamma 90.11288745
_space_... | data_image0
_chemical_formula_structural Li10Cu2P4O16
_chemical_formula_sum "Li10 Cu2 P4 O16"
_cell_length_a 5.33075
_cell_length_b 6.21188206
_cell_length_c 9.952614719999998
_cell_angle_alpha 90.05458698
_cell_angle_beta 90.09321507
_cell_angle_gamma 90.11288745
_space_... |
MoveAtomAction | ccaed105-355b-46ec-8d33-603ffe8ac3e5 | mp-1209474 | Move the atom at index 1 by [-2.36 2.456 1.294] angstrom in the cif file. | data_image0
_chemical_formula_structural Sm4Ni4Pb4
_chemical_formula_sum "Sm4 Ni4 Pb4"
_cell_length_a 4.58978341
_cell_length_b 7.33181523
_cell_length_c 7.87051051
_cell_angle_alpha 90.00819843
_cell_angle_beta 90.04042330000001
_cell_angle_gamma 89.97303752
_space_group... | data_image0
_chemical_formula_structural Sm4Ni4Pb4
_chemical_formula_sum "Sm4 Ni4 Pb4"
_cell_length_a 4.58978341
_cell_length_b 7.33181523
_cell_length_c 7.87051051
_cell_angle_alpha 90.00819843
_cell_angle_beta 90.04042330000001
_cell_angle_gamma 89.97303752
_space_group... |
MoveAtomAction | ad60e0f8-f63e-460e-8d1e-1a3c39b1b6aa | mp-1220416 | Move the atom at index 6 by [ 4.822 -1.885 -1.158] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb2Fe2O8
_chemical_formula_sum "Nb2 Fe2 O8"
_cell_length_a 4.732602
_cell_length_b 5.045943
_cell_length_c 5.717672
_cell_angle_alpha 89.99997862
_cell_angle_beta 89.99997787
_cell_angle_gamma 90.00033981
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nb2Fe2O8
_chemical_formula_sum "Nb2 Fe2 O8"
_cell_length_a 4.732602
_cell_length_b 5.045943
_cell_length_c 5.717672
_cell_angle_alpha 89.99997862
_cell_angle_beta 89.99997787
_cell_angle_gamma 90.00033981
_space_group_name_H-M_alt ... |
MoveAtomAction | 712fe348-c98b-4ab7-8c36-ef3ae4274bdf | mp-1210838 | Move the atom at index 17 by [-1.259 0.125 -1.415] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg2P2H12N2O10
_chemical_formula_sum "Mg2 P2 H12 N2 O10"
_cell_length_a 5.398913
_cell_length_b 7.180609
_cell_length_c 10.282645
_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 Mg2P2H12N2O10
_chemical_formula_sum "Mg2 P2 H12 N2 O10"
_cell_length_a 5.398913
_cell_length_b 7.180609
_cell_length_c 10.282645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveAtomAction | 0d9d0e62-7a53-43b1-9d6f-a2694582457e | mp-21717 | Move the atom at index 3 by [ 1.676 -0.947 -0.412] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe28C12
_chemical_formula_sum "Fe28 C12"
_cell_length_a 4.517344
_cell_length_b 6.857112
_cell_length_c 11.762107
_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 Fe28C12
_chemical_formula_sum "Fe28 C12"
_cell_length_a 4.517344
_cell_length_b 6.857112
_cell_length_c 11.762107
_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 | a2598b6e-f7cb-4bd4-ba64-7d3130e07621 | mp-8081 | Move the atom at index 10 by [-3.204 2.33 1.137] angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Sn2F12
_chemical_formula_sum "Na4 Sn2 F12"
_cell_length_a 5.02261199
_cell_length_b 5.02261199
_cell_length_c 10.03062163
_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 Na4Sn2F12
_chemical_formula_sum "Na4 Sn2 F12"
_cell_length_a 5.02261199
_cell_length_b 5.02261199
_cell_length_c 10.03062163
_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 | 3f778667-583d-4151-86b8-b422058b2295 | mp-800259 | Move the atom at index 13 by [-0.421 1.904 2.277] angstrom in the cif file. | data_image0
_chemical_formula_structural Li5Cr3FeO8
_chemical_formula_sum "Li5 Cr3 Fe1 O8"
_cell_length_a 5.994255
_cell_length_b 5.9972526
_cell_length_c 6.05051969
_cell_angle_alpha 119.50204335000001
_cell_angle_beta 90.27845360999999
_cell_angle_gamma 119.8688950300000... | data_image0
_chemical_formula_structural Li5Cr3FeO8
_chemical_formula_sum "Li5 Cr3 Fe1 O8"
_cell_length_a 5.994255
_cell_length_b 5.9972526
_cell_length_c 6.05051969
_cell_angle_alpha 119.50204335000001
_cell_angle_beta 90.27845360999999
_cell_angle_gamma 119.8688950300000... |
MoveAtomAction | 886d5518-1beb-4106-8812-2a2684e90219 | mp-1194481 | Move the atom at index 19 by [-2.281 -0.334 0.177] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr6Sn6Au16
_chemical_formula_sum "Sr6 Sn6 Au16"
_cell_length_a 4.805574
_cell_length_b 9.803317
_cell_length_c 14.269834
_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 Sr6Sn6Au16
_chemical_formula_sum "Sr6 Sn6 Au16"
_cell_length_a 4.805574
_cell_length_b 9.803317
_cell_length_c 14.269834
_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 | 612fc667-2e70-413e-8d91-e7db776d7934 | mp-1209658 | Move the atom at index 4 by [-0.98 -1.971 -1.164] angstrom in the cif file. | data_image0
_chemical_formula_structural Pr10C12Br6
_chemical_formula_sum "Pr10 C12 Br6"
_cell_length_a 3.93498562
_cell_length_b 11.631626369999998
_cell_length_c 14.0197456
_cell_angle_alpha 79.80498043
_cell_angle_beta 81.94104415
_cell_angle_gamma 80.37070865
_space_g... | data_image0
_chemical_formula_structural Pr10C12Br6
_chemical_formula_sum "Pr10 C12 Br6"
_cell_length_a 3.93498562
_cell_length_b 11.631626369999998
_cell_length_c 14.0197456
_cell_angle_alpha 79.80498043
_cell_angle_beta 81.94104415
_cell_angle_gamma 80.37070865
_space_g... |
MoveAtomAction | ae50f3b5-0b2b-43db-b229-1c80beed0986 | mp-28763 | Move the atom at index 33 by [-0.733 -0.777 -0.212] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca16As16Pd16
_chemical_formula_sum "Ca16 As16 Pd16"
_cell_length_a 7.16018011
_cell_length_b 8.67165053
_cell_length_c 16.69388756
_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 Ca16As16Pd16
_chemical_formula_sum "Ca16 As16 Pd16"
_cell_length_a 7.16018011
_cell_length_b 8.67165053
_cell_length_c 16.69388756
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveAtomAction | 1950ef16-75c2-42ab-bc98-4380dd56447a | mp-1032803 | Move the atom at index 14 by [-0.121 -3.444 2.174] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg6MnZnO8
_chemical_formula_sum "Mg6 Mn1 Zn1 O8"
_cell_length_a 8.60024287
_cell_length_b 4.31000015
_cell_length_c 4.31000015
_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 Mg6MnZnO8
_chemical_formula_sum "Mg6 Mn1 Zn1 O8"
_cell_length_a 8.60024287
_cell_length_b 4.31000015
_cell_length_c 4.31000015
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveAtomAction | 5b0692a6-d4b5-4ed3-92c5-4f9dc3654c34 | mp-1017477 | Move the atom at index 9 by [ 2.482 -0.971 1.064] angstrom in the cif file. | data_image0
_chemical_formula_structural La2Mg12W2
_chemical_formula_sum "La2 Mg12 W2"
_cell_length_a 5.020477
_cell_length_b 6.432658
_cell_length_c 11.360022
_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 La2Mg12W2
_chemical_formula_sum "La2 Mg12 W2"
_cell_length_a 5.020477
_cell_length_b 6.432658
_cell_length_c 11.360022
_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 | f7f97071-35b1-42dd-bf3e-a3d0857d0200 | mp-2218799 | Move the atom at index 1 by [-0.277 -1.353 3.256] angstrom in the cif file. | data_image0
_chemical_formula_structural NaMgFeSe2O8
_chemical_formula_sum "Na1 Mg1 Fe1 Se2 O8"
_cell_length_a 5.27080621
_cell_length_b 5.3473582
_cell_length_c 7.01823502
_cell_angle_alpha 88.14316109
_cell_angle_beta 92.70554027
_cell_angle_gamma 67.853843
_space_group... | data_image0
_chemical_formula_structural NaMgFeSe2O8
_chemical_formula_sum "Na1 Mg1 Fe1 Se2 O8"
_cell_length_a 5.27080621
_cell_length_b 5.3473582
_cell_length_c 7.01823502
_cell_angle_alpha 88.14316109
_cell_angle_beta 92.70554027
_cell_angle_gamma 67.853843
_space_group... |
MoveAtomAction | 4137589d-a039-4b17-9faf-0bb9ab680419 | mp-685281 | Move the atom at index 2 by [3.148 2.312 0.173] angstrom in the cif file. | data_image0
_chemical_formula_structural TiZnH12O6F6
_chemical_formula_sum "Ti1 Zn1 H12 O6 F6"
_cell_length_a 6.52220492
_cell_length_b 6.52220492
_cell_length_c 6.522205700000001
_cell_angle_alpha 95.56394999
_cell_angle_beta 95.56394999
_cell_angle_gamma 95.56395338
_sp... | data_image0
_chemical_formula_structural TiZnH12O6F6
_chemical_formula_sum "Ti1 Zn1 H12 O6 F6"
_cell_length_a 6.52220492
_cell_length_b 6.52220492
_cell_length_c 6.522205700000001
_cell_angle_alpha 95.56394999
_cell_angle_beta 95.56394999
_cell_angle_gamma 95.56395338
_sp... |
MoveAtomAction | 467a40a9-528f-4585-a0f1-8c4714721cef | mp-1228545 | Move the atom at index 5 by [-2.125 -1.583 -1.928] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Sr2Y2Cu6O13
_chemical_formula_sum "Ba2 Sr2 Y2 Cu6 O13"
_cell_length_a 12.40091246
_cell_length_b 12.37274741
_cell_length_c 5.46917834
_cell_angle_alpha 77.5339258
_cell_angle_beta 76.95836211
_cell_angle_gamma 25.507712090000005... | data_image0
_chemical_formula_structural Ba2Sr2Y2Cu6O13
_chemical_formula_sum "Ba2 Sr2 Y2 Cu6 O13"
_cell_length_a 12.40091246
_cell_length_b 12.37274741
_cell_length_c 5.46917834
_cell_angle_alpha 77.5339258
_cell_angle_beta 76.95836211
_cell_angle_gamma 25.507712090000005... |
MoveAtomAction | a511913a-8c4d-4919-a2ea-cea2ffeaabe1 | mp-1518745 | Move the atom at index 4 by [-1.631 -1.236 -1.607] angstrom in the cif file. | data_image0
_chemical_formula_structural SrEuFeBiO6
_chemical_formula_sum "Sr1 Eu1 Fe1 Bi1 O6"
_cell_length_a 5.82557674
_cell_length_b 5.82557674
_cell_length_c 5.82557674
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural SrEuFeBiO6
_chemical_formula_sum "Sr1 Eu1 Fe1 Bi1 O6"
_cell_length_a 5.82557674
_cell_length_b 5.82557674
_cell_length_c 5.82557674
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... |
MoveAtomAction | bdfdf156-935b-4749-a949-2e5a6f32eef3 | mp-1179984 | Move the atom at index 13 by [-0.693 0.655 -0.191] angstrom in the cif file. | data_image0
_chemical_formula_structural Pt4Br12N8
_chemical_formula_sum "Pt4 Br12 N8"
_cell_length_a 9.81559763
_cell_length_b 9.13628541
_cell_length_c 10.39186268
_cell_angle_alpha 80.59246681
_cell_angle_beta 54.876923160000004
_cell_angle_gamma 67.77205296000001
_spa... | data_image0
_chemical_formula_structural Pt4Br12N8
_chemical_formula_sum "Pt4 Br12 N8"
_cell_length_a 9.81559763
_cell_length_b 9.13628541
_cell_length_c 10.39186268
_cell_angle_alpha 80.59246681
_cell_angle_beta 54.876923160000004
_cell_angle_gamma 67.77205296000001
_spa... |
MoveAtomAction | 16fb2e5a-5f98-4d61-a52d-e8d1e047cc7c | mp-1104537 | Move the atom at index 1 by [-1.735 0.763 0.665] angstrom in the cif file. | data_image0
_chemical_formula_structural NdAl8Cr4
_chemical_formula_sum "Nd1 Al8 Cr4"
_cell_length_a 5.060121
_cell_length_b 6.84892539
_cell_length_c 6.84892539
_cell_angle_alpha 82.15673342
_cell_angle_beta 68.32076968
_cell_angle_gamma 68.32076968
_space_group_name_H-M... | data_image0
_chemical_formula_structural NdAl8Cr4
_chemical_formula_sum "Nd1 Al8 Cr4"
_cell_length_a 5.060121
_cell_length_b 6.84892539
_cell_length_c 6.84892539
_cell_angle_alpha 82.15673342
_cell_angle_beta 68.32076968
_cell_angle_gamma 68.32076968
_space_group_name_H-M... |
MoveAtomAction | 532d5905-c004-4d16-bfe3-12c5f947981d | mp-1026412 | Move the atom at index 15 by [ 0.628 3.216 -0.672] angstrom in the cif file. | data_image0
_chemical_formula_structural BaMg14Sn
_chemical_formula_sum "Ba1 Mg14 Sn1"
_cell_length_a 6.57999714
_cell_length_b 6.57999657
_cell_length_c 10.76078634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural BaMg14Sn
_chemical_formula_sum "Ba1 Mg14 Sn1"
_cell_length_a 6.57999714
_cell_length_b 6.57999657
_cell_length_c 10.76078634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H-M_al... |
MoveAtomAction | 57d7ef81-814c-4259-b582-164e071487b4 | mp-545404 | Move the atom at index 5 by [-2.939 -1.22 -2.005] angstrom in the cif file. | data_image0
_chemical_formula_structural SrGd2Al2O7
_chemical_formula_sum "Sr1 Gd2 Al2 O7"
_cell_length_a 10.27591848
_cell_length_b 10.27591848
_cell_length_c 10.27591848
_cell_angle_alpha 159.00615157
_cell_angle_beta 159.00615157
_cell_angle_gamma 29.86077711999998
_sp... | data_image0
_chemical_formula_structural SrGd2Al2O7
_chemical_formula_sum "Sr1 Gd2 Al2 O7"
_cell_length_a 10.27591848
_cell_length_b 10.27591848
_cell_length_c 10.27591848
_cell_angle_alpha 159.00615157
_cell_angle_beta 159.00615157
_cell_angle_gamma 29.86077711999998
_sp... |
MoveAtomAction | c3ccaf65-3317-46d1-b30e-3fb52a5fd763 | mp-1214455 | Move the atom at index 16 by [-2.219 -1.263 1.06 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Fe8Si8O28
_chemical_formula_sum "Ba4 Fe8 Si8 O28"
_cell_length_a 14.016061
_cell_length_b 7.209923
_cell_length_c 7.607207749999999
_cell_angle_alpha 61.73702037999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural Ba4Fe8Si8O28
_chemical_formula_sum "Ba4 Fe8 Si8 O28"
_cell_length_a 14.016061
_cell_length_b 7.209923
_cell_length_c 7.607207749999999
_cell_angle_alpha 61.73702037999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
MoveAtomAction | 3b39f88a-ca3c-48ae-b1f0-c6d18695cb43 | mp-1043054 | Move the atom at index 30 by [-1.119 5.84 0.042] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti4Zn4Ni4P8O36
_chemical_formula_sum "Ti4 Zn4 Ni4 P8 O36"
_cell_length_a 6.272034
_cell_length_b 7.343253
_cell_length_c 14.359966
_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 Ti4Zn4Ni4P8O36
_chemical_formula_sum "Ti4 Zn4 Ni4 P8 O36"
_cell_length_a 6.272034
_cell_length_b 7.343253
_cell_length_c 14.359966
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveAtomAction | 5c6b1a6b-bc29-4c31-b222-37e1b128414b | mp-1223532 | Move the atom at index 5 by [-1.477 1.721 3.401] angstrom in the cif file. | data_image0
_chemical_formula_structural K2La2C2O8
_chemical_formula_sum "K2 La2 C2 O8"
_cell_length_a 3.686097
_cell_length_b 4.760619
_cell_length_c 12.196384
_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 K2La2C2O8
_chemical_formula_sum "K2 La2 C2 O8"
_cell_length_a 3.686097
_cell_length_b 4.760619
_cell_length_c 12.196384
_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 | aea26c31-cc22-4c86-bec0-c5a5a0527852 | mp-759887 | Move the atom at index 72 by [-1.187 0.861 3.314] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr18Ni14O42
_chemical_formula_sum "Sr18 Ni14 O42"
_cell_length_a 13.23519218
_cell_length_b 13.235192179999999
_cell_length_c 13.235192049999998
_cell_angle_alpha 42.20770340999998
_cell_angle_beta 42.207703409999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Sr18Ni14O42
_chemical_formula_sum "Sr18 Ni14 O42"
_cell_length_a 13.23519218
_cell_length_b 13.235192179999999
_cell_length_c 13.235192049999998
_cell_angle_alpha 42.20770340999998
_cell_angle_beta 42.207703409999986
_cell_angle_gamma ... |
MoveAtomAction | 3788540d-9932-476f-8e33-57031d3f2df0 | mp-626121 | Move the atom at index 3 by [ 2.173 5.1 -0.737] angstrom in the cif file. | data_image0
_chemical_formula_structural V3H5O8
_chemical_formula_sum "V3 H5 O8"
_cell_length_a 10.1393081
_cell_length_b 10.15314353
_cell_length_c 4.9295866
_cell_angle_alpha 77.34854725
_cell_angle_beta 102.7674122
_cell_angle_gamma 162.59563102
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural V3H5O8
_chemical_formula_sum "V3 H5 O8"
_cell_length_a 10.1393081
_cell_length_b 10.15314353
_cell_length_c 4.9295866
_cell_angle_alpha 77.34854725
_cell_angle_beta 102.7674122
_cell_angle_gamma 162.59563102
_space_group_name_H-M_a... |
MoveAtomAction | 6ffbffbd-c718-4d81-a66d-d52e69bc0ab7 | mp-765641 | Move the atom at index 15 by [1.072 0.56 0.182] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Fe8P8O32
_chemical_formula_sum "Li8 Fe8 P8 O32"
_cell_length_a 4.935367
_cell_length_b 7.702235
_cell_length_c 18.4794473
_cell_angle_alpha 89.25448525
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li8Fe8P8O32
_chemical_formula_sum "Li8 Fe8 P8 O32"
_cell_length_a 4.935367
_cell_length_b 7.702235
_cell_length_c 18.4794473
_cell_angle_alpha 89.25448525
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveAtomAction | 279257b1-9354-415e-b170-678a508796ee | mp-7062 | Move the atom at index 16 by [-1.764 1.008 -1.179] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg3Al9FeSi5
_chemical_formula_sum "Mg3 Al9 Fe1 Si5"
_cell_length_a 6.63447981
_cell_length_b 6.634479809999999
_cell_length_c 7.86912
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999808999999
_space_group_na... | data_image0
_chemical_formula_structural Mg3Al9FeSi5
_chemical_formula_sum "Mg3 Al9 Fe1 Si5"
_cell_length_a 6.63447981
_cell_length_b 6.634479809999999
_cell_length_c 7.86912
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999808999999
_space_group_na... |
MoveAtomAction | a3cc335b-c75f-4f3f-9bd6-358621daa5fd | mp-1221030 | Move the atom at index 43 by [-2.631 2.65 4.017] angstrom in the cif file. | data_image0
_chemical_formula_structural Ni32Sn24
_chemical_formula_sum "Ni32 Sn24"
_cell_length_a 5.213783
_cell_length_b 7.066098
_cell_length_c 24.57819798
_cell_angle_alpha 89.90060383000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ni32Sn24
_chemical_formula_sum "Ni32 Sn24"
_cell_length_a 5.213783
_cell_length_b 7.066098
_cell_length_c 24.57819798
_cell_angle_alpha 89.90060383000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveAtomAction | f6f15c9b-1260-4213-ad31-dd395eaf5e6c | mp-759549 | Move the atom at index 21 by [-1.771 -1.496 1.445] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn2P8O24
_chemical_formula_sum "Mn2 P8 O24"
_cell_length_a 8.773979
_cell_length_b 7.132297
_cell_length_c 8.45164641
_cell_angle_alpha 57.34594921
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Mn2P8O24
_chemical_formula_sum "Mn2 P8 O24"
_cell_length_a 8.773979
_cell_length_b 7.132297
_cell_length_c 8.45164641
_cell_angle_alpha 57.34594921
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveAtomAction | bc043212-313f-4ad8-8f2c-830497b4b725 | mp-1113577 | Move the atom at index 6 by [ 4.155 -0.079 1.982] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2AlAgBr6
_chemical_formula_sum "Cs2 Al1 Ag1 Br6"
_cell_length_a 7.73385031
_cell_length_b 7.73385031
_cell_length_c 7.73385031
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Cs2AlAgBr6
_chemical_formula_sum "Cs2 Al1 Ag1 Br6"
_cell_length_a 7.73385031
_cell_length_b 7.73385031
_cell_length_c 7.73385031
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... |
MoveAtomAction | 11c0f4aa-7d15-4fb9-9214-63844b513616 | mp-13211 | Move the atom at index 7 by [-2.309 -4.416 6.095] angstrom in the cif file. | data_image0
_chemical_formula_structural Ag4Te4O14
_chemical_formula_sum "Ag4 Te4 O14"
_cell_length_a 7.32596274
_cell_length_b 7.32592416
_cell_length_c 7.32592584
_cell_angle_alpha 120.35561923
_cell_angle_beta 117.89328692000001
_cell_angle_gamma 91.53610832000001
_spa... | data_image0
_chemical_formula_structural Ag4Te4O14
_chemical_formula_sum "Ag4 Te4 O14"
_cell_length_a 7.32596274
_cell_length_b 7.32592416
_cell_length_c 7.32592584
_cell_angle_alpha 120.35561923
_cell_angle_beta 117.89328692000001
_cell_angle_gamma 91.53610832000001
_spa... |
MoveAtomAction | 07c135ec-19e4-428b-8198-a956dde1341a | mp-1197552 | Move the atom at index 26 by [ 2.286 0.175 -0.193] angstrom in the cif file. | data_image0
_chemical_formula_structural U8Pb4Se20
_chemical_formula_sum "U8 Pb4 Se20"
_cell_length_a 7.822693
_cell_length_b 8.1085
_cell_length_c 12.886077
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural U8Pb4Se20
_chemical_formula_sum "U8 Pb4 Se20"
_cell_length_a 7.822693
_cell_length_b 8.1085
_cell_length_c 12.886077
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... |
MoveAtomAction | 6095e776-0d6f-4e65-b58a-c80265cd0c97 | mp-703305 | Move the atom at index 1 by [ 0.645 -1.466 2.52 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Na8P4H4O16
_chemical_formula_sum "Na8 P4 H4 O16"
_cell_length_a 6.927296
_cell_length_b 5.506799
_cell_length_c 11.080738149999998
_cell_angle_alpha 63.67625642000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... | data_image0
_chemical_formula_structural Na8P4H4O16
_chemical_formula_sum "Na8 P4 H4 O16"
_cell_length_a 6.927296
_cell_length_b 5.506799
_cell_length_c 11.080738149999998
_cell_angle_alpha 63.67625642000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
MoveAtomAction | 2a94c4a8-5010-42cf-a3a8-15885683d3ce | mp-2240398 | Move the atom at index 9 by [ 0.725 -1.651 -0.298] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2TmMgNbO6
_chemical_formula_sum "Ba2 Tm1 Mg1 Nb1 O6"
_cell_length_a 6.75880253
_cell_length_b 6.75552657
_cell_length_c 6.75552659
_cell_angle_alpha 52.21155875999998
_cell_angle_beta 52.209163479999994
_cell_angle_gamma 52.209159... | data_image0
_chemical_formula_structural Ba2TmMgNbO6
_chemical_formula_sum "Ba2 Tm1 Mg1 Nb1 O6"
_cell_length_a 6.75880253
_cell_length_b 6.75552657
_cell_length_c 6.75552659
_cell_angle_alpha 52.21155875999998
_cell_angle_beta 52.209163479999994
_cell_angle_gamma 52.209159... |
MoveAtomAction | 46987aa3-e038-49c6-9bb4-16c2e72bd0c1 | mp-720255 | Move the atom at index 9 by [-4.578 -0.638 0.21 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr20P12ClO48F3
_chemical_formula_sum "Sr20 P12 Cl1 O48 F3"
_cell_length_a 7.359952
_cell_length_b 9.90469101
_cell_length_c 17.15408517
_cell_angle_alpha 90.00811632999998
_cell_angle_beta 90.00065799
_cell_angle_gamma 90.0023196699... | data_image0
_chemical_formula_structural Sr20P12ClO48F3
_chemical_formula_sum "Sr20 P12 Cl1 O48 F3"
_cell_length_a 7.359952
_cell_length_b 9.90469101
_cell_length_c 17.15408517
_cell_angle_alpha 90.00811632999998
_cell_angle_beta 90.00065799
_cell_angle_gamma 90.0023196699... |
MoveAtomAction | f2956293-32d3-4b2e-b44f-9f2f90bed91a | mp-27741 | Move the atom at index 5 by [ 1.004 -0.965 3.271] angstrom in the cif file. | data_image0
_chemical_formula_structural Te4Au4I4
_chemical_formula_sum "Te4 Au4 I4"
_cell_length_a 7.30427224
_cell_length_b 7.646308469999999
_cell_length_c 7.82800078
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.89488352
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Te4Au4I4
_chemical_formula_sum "Te4 Au4 I4"
_cell_length_a 7.30427224
_cell_length_b 7.646308469999999
_cell_length_c 7.82800078
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.89488352
_space_group_name_H-M_alt ... |
MoveAtomAction | 6533b36a-5963-42fa-b380-53a9d619bfea | mp-1179899 | Move the atom at index 13 by [-0.601 0.128 2.088] angstrom in the cif file. | data_image0
_chemical_formula_structural Pt4N8Cl8O8
_chemical_formula_sum "Pt4 N8 Cl8 O8"
_cell_length_a 7.528554
_cell_length_b 7.528554
_cell_length_c 16.85768
_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 Pt4N8Cl8O8
_chemical_formula_sum "Pt4 N8 Cl8 O8"
_cell_length_a 7.528554
_cell_length_b 7.528554
_cell_length_c 16.85768
_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 | 37750d77-bb64-46bf-85ca-0bb84858423c | mp-29267 | Move the atom at index 19 by [ 1.4 -0.063 3.476] angstrom in the cif file. | data_image0
_chemical_formula_structural Sn20Sb8S36
_chemical_formula_sum "Sn20 Sb8 S36"
_cell_length_a 11.533373
_cell_length_b 11.62481
_cell_length_c 11.663316
_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 Sn20Sb8S36
_chemical_formula_sum "Sn20 Sb8 S36"
_cell_length_a 11.533373
_cell_length_b 11.62481
_cell_length_c 11.663316
_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 | a330217e-2140-4fd1-9b20-e6ba5b77c3c7 | mp-1225820 | Move the atom at index 12 by [ 0.849 -3.491 0.102] angstrom in the cif file. | data_image0
_chemical_formula_structural Er3Ga8Ni3
_chemical_formula_sum "Er3 Ga8 Ni3"
_cell_length_a 7.96507008
_cell_length_b 7.96507008
_cell_length_c 9.50361869
_cell_angle_alpha 54.23683748
_cell_angle_beta 54.23683748
_cell_angle_gamma 30.009609399999995
_space_grou... | data_image0
_chemical_formula_structural Er3Ga8Ni3
_chemical_formula_sum "Er3 Ga8 Ni3"
_cell_length_a 7.96507008
_cell_length_b 7.96507008
_cell_length_c 9.50361869
_cell_angle_alpha 54.23683748
_cell_angle_beta 54.23683748
_cell_angle_gamma 30.009609399999995
_space_grou... |
MoveAtomAction | 429a3af8-7bab-4316-a122-95d55df7a91c | mp-1247664 | Move the atom at index 6 by [4.061 0.585 0.314] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr3Ca5Mn8O24
_chemical_formula_sum "Sr3 Ca5 Mn8 O24"
_cell_length_a 7.667348
_cell_length_b 7.667378
_cell_length_c 7.667348
_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 Sr3Ca5Mn8O24
_chemical_formula_sum "Sr3 Ca5 Mn8 O24"
_cell_length_a 7.667348
_cell_length_b 7.667378
_cell_length_c 7.667348
_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 | e07c2d79-fe0e-4497-b1bc-c709a3a0f8d5 | mp-636519 | Move the atom at index 0 by [-0.345 1.074 0.955] angstrom in the cif file. | data_image0
_chemical_formula_structural Ni2Rh4O8
_chemical_formula_sum "Ni2 Rh4 O8"
_cell_length_a 5.96787122
_cell_length_b 6.14836507
_cell_length_c 5.96791536
_cell_angle_alpha 119.02436597
_cell_angle_beta 90.00320417
_cell_angle_gamma 119.02240357
_space_group_name_... | data_image0
_chemical_formula_structural Ni2Rh4O8
_chemical_formula_sum "Ni2 Rh4 O8"
_cell_length_a 5.96787122
_cell_length_b 6.14836507
_cell_length_c 5.96791536
_cell_angle_alpha 119.02436597
_cell_angle_beta 90.00320417
_cell_angle_gamma 119.02240357
_space_group_name_... |
MoveAtomAction | 5901b78d-3fa0-4216-b511-a2f4e4174446 | mp-1020642 | Move the atom at index 24 by [-0.219 -0.601 0.506] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr12Y8B16O48
_chemical_formula_sum "Sr12 Y8 B16 O48"
_cell_length_a 7.548728
_cell_length_b 8.728134
_cell_length_c 15.798097
_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 Sr12Y8B16O48
_chemical_formula_sum "Sr12 Y8 B16 O48"
_cell_length_a 7.548728
_cell_length_b 8.728134
_cell_length_c 15.798097
_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 | f6b0df1e-8425-40fa-ba70-663e5b086dc6 | mp-11609 | Move the atom at index 5 by [-0.88 1.199 -1.548] angstrom in the cif file. | data_image0
_chemical_formula_structural Sb2Mo4S4
_chemical_formula_sum "Sb2 Mo4 S4"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Sb2Mo4S4
_chemical_formula_sum "Sb2 Mo4 S4"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveAtomAction | cb98dacf-0bc5-41e0-982e-1eb51dfbaaaf | mp-34578 | Move the atom at index 2 by [-3.09 -0.071 2.759] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba8Y6F34
_chemical_formula_sum "Ba8 Y6 F34"
_cell_length_a 9.30934256
_cell_length_b 9.28939294
_cell_length_c 9.37462646
_cell_angle_alpha 72.82400591
_cell_angle_beta 72.84749938
_cell_angle_gamma 72.95756218
_space_group_name_H-... | data_image0
_chemical_formula_structural Ba8Y6F34
_chemical_formula_sum "Ba8 Y6 F34"
_cell_length_a 9.30934256
_cell_length_b 9.28939294
_cell_length_c 9.37462646
_cell_angle_alpha 72.82400591
_cell_angle_beta 72.84749938
_cell_angle_gamma 72.95756218
_space_group_name_H-... |
MoveAtomAction | 80e4eda1-62cf-43cc-ae0c-46af5a0810b6 | mp-1199595 | Move the atom at index 28 by [-0.891 -3.142 0.012] angstrom in the cif file. | data_image0
_chemical_formula_structural MnSn4H24C8Se10N2
_chemical_formula_sum "Mn1 Sn4 H24 C8 Se10 N2"
_cell_length_a 10.91665963
_cell_length_b 10.91665963
_cell_length_c 10.91665963
_cell_angle_alpha 123.43561498000001
_cell_angle_beta 123.43561498000001
_cell_angle_gamma... | data_image0
_chemical_formula_structural MnSn4H24C8Se10N2
_chemical_formula_sum "Mn1 Sn4 H24 C8 Se10 N2"
_cell_length_a 10.91665963
_cell_length_b 10.91665963
_cell_length_c 10.91665963
_cell_angle_alpha 123.43561498000001
_cell_angle_beta 123.43561498000001
_cell_angle_gamma... |
MoveAtomAction | 78ca6d6d-e629-4b04-96b2-1eedf5c718b5 | mp-641010 | Move the atom at index 23 by [-1.166 -0.981 4.303] angstrom in the cif file. | data_image0
_chemical_formula_structural La16Te12N8
_chemical_formula_sum "La16 Te12 N8"
_cell_length_a 7.51634334
_cell_length_b 11.69897623
_cell_length_c 11.87870996
_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 La16Te12N8
_chemical_formula_sum "La16 Te12 N8"
_cell_length_a 7.51634334
_cell_length_b 11.69897623
_cell_length_c 11.87870996
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveAtomAction | 1facedcd-09fb-4f80-95e9-07e4ec108773 | mp-1176021 | Move the atom at index 18 by [-0.142 0.637 -0.377] angstrom in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.113301
_cell_length_b 5.88116853
_cell_length_c 10.47427648
_cell_angle_alpha 74.56119711
_cell_angle_beta 76.33723168
_cell_angle_gamma 74.44210164
_space_group... | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.113301
_cell_length_b 5.88116853
_cell_length_c 10.47427648
_cell_angle_alpha 74.56119711
_cell_angle_beta 76.33723168
_cell_angle_gamma 74.44210164
_space_group... |
MoveAtomAction | 237e77ad-4538-4b41-8251-e25c5709ec04 | mp-2219397 | Move the atom at index 5 by [ 2.276 3.845 -0.24 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Y2MgCr2O8
_chemical_formula_sum "Y2 Mg1 Cr2 O8"
_cell_length_a 5.04606392
_cell_length_b 5.149407280000001
_cell_length_c 7.896295460000001
_cell_angle_alpha 105.43100437999999
_cell_angle_beta 105.25056005
_cell_angle_gamma 100.198... | data_image0
_chemical_formula_structural Y2MgCr2O8
_chemical_formula_sum "Y2 Mg1 Cr2 O8"
_cell_length_a 5.04606392
_cell_length_b 5.149407280000001
_cell_length_c 7.896295460000001
_cell_angle_alpha 105.43100437999999
_cell_angle_beta 105.25056005
_cell_angle_gamma 100.198... |
MoveAtomAction | 74d58f71-49cd-4939-a780-003f45e2f085 | mp-1174614 | Move the atom at index 3 by [-4.758 1.222 -0.041] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 5.15001998
_cell_length_b 7.71852731
_cell_length_c 7.65829315
_cell_angle_alpha 64.20479296
_cell_angle_beta 83.14441006
_cell_angle_gamma 108.31304287999998
_spa... | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 5.15001998
_cell_length_b 7.71852731
_cell_length_c 7.65829315
_cell_angle_alpha 64.20479296
_cell_angle_beta 83.14441006
_cell_angle_gamma 108.31304287999998
_spa... |
MoveAtomAction | ed1efffb-c19e-48d7-88a9-d76f8a9d77b5 | mp-766542 | Move the atom at index 13 by [1.33 0.295 2.625] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Fe4Si4O16
_chemical_formula_sum "Li4 Fe4 Si4 O16"
_cell_length_a 5.101228
_cell_length_b 6.381028
_cell_length_c 10.84451
_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 Li4Fe4Si4O16
_chemical_formula_sum "Li4 Fe4 Si4 O16"
_cell_length_a 5.101228
_cell_length_b 6.381028
_cell_length_c 10.84451
_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 | 7f54acd8-fc74-4395-8998-2716c1ea6da5 | mp-1219949 | Move the atom at index 3 by [ 0.696 -0.626 -0.886] angstrom in the cif file. | data_image0
_chemical_formula_structural Pr2AlFe16
_chemical_formula_sum "Pr2 Al1 Fe16"
_cell_length_a 6.47215976
_cell_length_b 6.47215976
_cell_length_c 6.472159590000001
_cell_angle_alpha 82.75117038000002
_cell_angle_beta 82.75117038000002
_cell_angle_gamma 82.75117239... | data_image0
_chemical_formula_structural Pr2AlFe16
_chemical_formula_sum "Pr2 Al1 Fe16"
_cell_length_a 6.47215976
_cell_length_b 6.47215976
_cell_length_c 6.472159590000001
_cell_angle_alpha 82.75117038000002
_cell_angle_beta 82.75117038000002
_cell_angle_gamma 82.75117239... |
MoveAtomAction | b73a6951-4872-4ab3-85fe-8d6d397962d9 | mp-7998 | Move the atom at index 8 by [ 0.811 -1.189 4.45 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Ge4O10
_chemical_formula_sum "Li4 Ge4 O10"
_cell_length_a 8.20316122
_cell_length_b 8.20316122
_cell_length_c 4.94905911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 137.53420009
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li4Ge4O10
_chemical_formula_sum "Li4 Ge4 O10"
_cell_length_a 8.20316122
_cell_length_b 8.20316122
_cell_length_c 4.94905911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 137.53420009
_space_group_name_H-M_alt "P... |
MoveAtomAction | 7a380fe7-b102-4e1b-9b57-748b42fb9f23 | mp-1103868 | Move the atom at index 2 by [ 2.109 -1.335 0.403] angstrom in the cif file. | data_image0
_chemical_formula_structural ZnRe2O12
_chemical_formula_sum "Zn1 Re2 O12"
_cell_length_a 6.039789
_cell_length_b 7.14870953
_cell_length_c 7.26398357
_cell_angle_alpha 114.88776908999999
_cell_angle_beta 85.61737039
_cell_angle_gamma 113.32795483
_space_group_... | data_image0
_chemical_formula_structural ZnRe2O12
_chemical_formula_sum "Zn1 Re2 O12"
_cell_length_a 6.039789
_cell_length_b 7.14870953
_cell_length_c 7.26398357
_cell_angle_alpha 114.88776908999999
_cell_angle_beta 85.61737039
_cell_angle_gamma 113.32795483
_space_group_... |
MoveAtomAction | 050bd9d7-fa28-4c81-84c7-419cba0b140c | mp-1104546 | Move the atom at index 2 by [-0.937 0.049 -2.038] angstrom in the cif file. | data_image0
_chemical_formula_structural Co2B6Mo6
_chemical_formula_sum "Co2 B6 Mo6"
_cell_length_a 3.15117013
_cell_length_b 4.49868614
_cell_length_c 10.73849644
_cell_angle_alpha 89.99954025
_cell_angle_beta 90.0
_cell_angle_gamma 110.50151581000001
_space_group_name_H... | data_image0
_chemical_formula_structural Co2B6Mo6
_chemical_formula_sum "Co2 B6 Mo6"
_cell_length_a 3.15117013
_cell_length_b 4.49868614
_cell_length_c 10.73849644
_cell_angle_alpha 89.99954025
_cell_angle_beta 90.0
_cell_angle_gamma 110.50151581000001
_space_group_name_H... |
MoveAtomAction | 8fd5b03a-31f3-4774-884f-42544713c785 | mp-560937 | Move the atom at index 19 by [-2.968 -0.037 2.699] angstrom in the cif file. | data_image0
_chemical_formula_structural Na6Si6Sn2O18F2
_chemical_formula_sum "Na6 Si6 Sn2 O18 F2"
_cell_length_a 8.75381785
_cell_length_b 8.75381785
_cell_length_c 6.52107054
_cell_angle_alpha 77.06337995
_cell_angle_beta 77.06337995
_cell_angle_gamma 105.87606228000001
... | data_image0
_chemical_formula_structural Na6Si6Sn2O18F2
_chemical_formula_sum "Na6 Si6 Sn2 O18 F2"
_cell_length_a 8.75381785
_cell_length_b 8.75381785
_cell_length_c 6.52107054
_cell_angle_alpha 77.06337995
_cell_angle_beta 77.06337995
_cell_angle_gamma 105.87606228000001
... |
MoveAtomAction | 19b4d0f8-c9c6-4d79-bcaa-832306fdf736 | mp-862697 | Move the atom at index 2 by [ 2.418 -3.816 -1.889] angstrom in the cif file. | data_image0
_chemical_formula_structural Er4Mg2Ge4
_chemical_formula_sum "Er4 Mg2 Ge4"
_cell_length_a 4.17537634
_cell_length_b 7.18786542
_cell_length_c 7.18786542
_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 Er4Mg2Ge4
_chemical_formula_sum "Er4 Mg2 Ge4"
_cell_length_a 4.17537634
_cell_length_b 7.18786542
_cell_length_c 7.18786542
_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 | 48116aff-334b-4c0d-8343-852eb33e6d2f | mp-34578 | Move the atom at index 16 by [1.921 0.719 1.198] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba8Y6F34
_chemical_formula_sum "Ba8 Y6 F34"
_cell_length_a 9.30934256
_cell_length_b 9.28939294
_cell_length_c 9.37462646
_cell_angle_alpha 72.82400591
_cell_angle_beta 72.84749938
_cell_angle_gamma 72.95756218
_space_group_name_H-... | data_image0
_chemical_formula_structural Ba8Y6F34
_chemical_formula_sum "Ba8 Y6 F34"
_cell_length_a 9.30934256
_cell_length_b 9.28939294
_cell_length_c 9.37462646
_cell_angle_alpha 72.82400591
_cell_angle_beta 72.84749938
_cell_angle_gamma 72.95756218
_space_group_name_H-... |
MoveAtomAction | 8fed0ef9-d939-49e5-b949-fdc7518816ed | mp-1111088 | Move the atom at index 1 by [ 2.352 -1.58 -0.687] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2AlAuF6
_chemical_formula_sum "Na2 Al1 Au1 F6"
_cell_length_a 6.01033693
_cell_length_b 6.01033693
_cell_length_c 6.01033693
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural Na2AlAuF6
_chemical_formula_sum "Na2 Al1 Au1 F6"
_cell_length_a 6.01033693
_cell_length_b 6.01033693
_cell_length_c 6.01033693
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... |
MoveAtomAction | b653d6bc-4e69-4119-a7a6-1c302364db9b | mp-1210476 | Move the atom at index 59 by [0.222 0.687 2.471] angstrom in the cif file. | data_image0
_chemical_formula_structural Np2H32C6N8O22
_chemical_formula_sum "Np2 H32 C6 N8 O22"
_cell_length_a 7.30527333
_cell_length_b 7.305273330000001
_cell_length_c 13.02708929
_cell_angle_alpha 87.43786131
_cell_angle_beta 87.43786131
_cell_angle_gamma 78.98552145
... | data_image0
_chemical_formula_structural Np2H32C6N8O22
_chemical_formula_sum "Np2 H32 C6 N8 O22"
_cell_length_a 7.30527333
_cell_length_b 7.305273330000001
_cell_length_c 13.02708929
_cell_angle_alpha 87.43786131
_cell_angle_beta 87.43786131
_cell_angle_gamma 78.98552145
... |
MoveAtomAction | cc3f7a1b-d804-4b79-b9e1-d511be7ae1b8 | mp-1197555 | Move the atom at index 35 by [-1.483 0.414 -0.459] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2Al4Si8O28
_chemical_formula_sum "Ca2 Al4 Si8 O28"
_cell_length_a 10.03255162
_cell_length_b 10.03255162
_cell_length_c 7.582514060000001
_cell_angle_alpha 74.39628326
_cell_angle_beta 74.39628326
_cell_angle_gamma 83.1367042
_sp... | data_image0
_chemical_formula_structural Ca2Al4Si8O28
_chemical_formula_sum "Ca2 Al4 Si8 O28"
_cell_length_a 10.03255162
_cell_length_b 10.03255162
_cell_length_c 7.582514060000001
_cell_angle_alpha 74.39628326
_cell_angle_beta 74.39628326
_cell_angle_gamma 83.1367042
_sp... |
MoveAtomAction | d76d8704-c044-4f7d-8193-39e91db0fe57 | mp-770361 | Move the atom at index 14 by [-2.447 -1.394 1.173] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V8B4O20
_chemical_formula_sum "Li4 V8 B4 O20"
_cell_length_a 3.058613
_cell_length_b 9.314923
_cell_length_c 12.401503
_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 Li4V8B4O20
_chemical_formula_sum "Li4 V8 B4 O20"
_cell_length_a 3.058613
_cell_length_b 9.314923
_cell_length_c 12.401503
_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 | 69aa1aba-53bb-4d23-85b0-5ccddb6f4f99 | mp-1195337 | Move the atom at index 50 by [0.77 0.721 3.078] angstrom in the cif file. | data_image0
_chemical_formula_structural Ir4Se12Br36
_chemical_formula_sum "Ir4 Se12 Br36"
_cell_length_a 9.68802508
_cell_length_b 12.26402471
_cell_length_c 14.15619962
_cell_angle_alpha 90.80305997999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Ir4Se12Br36
_chemical_formula_sum "Ir4 Se12 Br36"
_cell_length_a 9.68802508
_cell_length_b 12.26402471
_cell_length_c 14.15619962
_cell_angle_alpha 90.80305997999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
MoveAtomAction | 0d73b536-0126-4533-aa00-523a3d760fea | mp-1192688 | Move the atom at index 20 by [-0.408 -2.519 1.825] angstrom in the cif file. | data_image0
_chemical_formula_structural Zn4N24
_chemical_formula_sum "Zn4 N24"
_cell_length_a 3.46225614
_cell_length_b 16.34917739
_cell_length_c 7.37629299
_cell_angle_alpha 90.0
_cell_angle_beta 111.7166702
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Zn4N24
_chemical_formula_sum "Zn4 N24"
_cell_length_a 3.46225614
_cell_length_b 16.34917739
_cell_length_c 7.37629299
_cell_angle_alpha 90.0
_cell_angle_beta 111.7166702
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveAtomAction | 2bcb6668-6467-4425-80aa-9a3c4898317e | mp-38090 | Move the atom at index 33 by [ 0.304 -2.431 0.399] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe12Cu6O24
_chemical_formula_sum "Fe12 Cu6 O24"
_cell_length_a 6.05186412
_cell_length_b 6.05186412
_cell_length_c 14.709387490000001
_cell_angle_alpha 87.92009041
_cell_angle_beta 87.92009041
_cell_angle_gamma 59.09715076999999
_s... | data_image0
_chemical_formula_structural Fe12Cu6O24
_chemical_formula_sum "Fe12 Cu6 O24"
_cell_length_a 6.05186412
_cell_length_b 6.05186412
_cell_length_c 14.709387490000001
_cell_angle_alpha 87.92009041
_cell_angle_beta 87.92009041
_cell_angle_gamma 59.09715076999999
_s... |
MoveAtomAction | 3a148438-4c5e-4009-8466-d20c222bee04 | mp-530303 | Move the atom at index 52 by [ 0.373 -1.458 -5.352] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg8Ga16O32
_chemical_formula_sum "Mg8 Ga16 O32"
_cell_length_a 5.93530032
_cell_length_b 5.93530032
_cell_length_c 19.652703019999997
_cell_angle_alpha 81.47070874
_cell_angle_beta 81.47070874
_cell_angle_gamma 60.480380989999986
_... | data_image0
_chemical_formula_structural Mg8Ga16O32
_chemical_formula_sum "Mg8 Ga16 O32"
_cell_length_a 5.93530032
_cell_length_b 5.93530032
_cell_length_c 19.652703019999997
_cell_angle_alpha 81.47070874
_cell_angle_beta 81.47070874
_cell_angle_gamma 60.480380989999986
_... |
MoveAtomAction | 65df787b-d3a6-465f-97fc-c544c85e7bc9 | mp-2913130 | Move the atom at index 2 by [ 1.603 -0.941 -0.134] angstrom in the cif file. | data_image0
_chemical_formula_structural Li3VF8
_chemical_formula_sum "Li3 V1 F8"
_cell_length_a 5.99358865
_cell_length_b 5.9935886499999995
_cell_length_c 5.475367460000001
_cell_angle_alpha 73.83672157
_cell_angle_beta 73.83672157
_cell_angle_gamma 110.45852953
_space_... | data_image0
_chemical_formula_structural Li3VF8
_chemical_formula_sum "Li3 V1 F8"
_cell_length_a 5.99358865
_cell_length_b 5.9935886499999995
_cell_length_c 5.475367460000001
_cell_angle_alpha 73.83672157
_cell_angle_beta 73.83672157
_cell_angle_gamma 110.45852953
_space_... |
MoveAtomAction | 1fe01062-b655-43fe-8d0a-b0ecece4be02 | mp-755878 | Move the atom at index 12 by [-0.07 1.303 2.175] angstrom in the cif file. | data_image0
_chemical_formula_structural Cu6OF11
_chemical_formula_sum "Cu6 O1 F11"
_cell_length_a 5.54772546
_cell_length_b 5.83613003
_cell_length_c 6.94050569
_cell_angle_alpha 76.19187362
_cell_angle_beta 72.94332115
_cell_angle_gamma 69.63346733
_space_group_name_H-M... | data_image0
_chemical_formula_structural Cu6OF11
_chemical_formula_sum "Cu6 O1 F11"
_cell_length_a 5.54772546
_cell_length_b 5.83613003
_cell_length_c 6.94050569
_cell_angle_alpha 76.19187362
_cell_angle_beta 72.94332115
_cell_angle_gamma 69.63346733
_space_group_name_H-M... |
MoveAtomAction | 00f5dd0b-c3ef-4999-9c1b-9d9249a00792 | mp-1227253 | Move the atom at index 5 by [0.273 0.678 2.86 ] angstrom in the cif file. | data_image0
_chemical_formula_structural CaU3Ti8O24
_chemical_formula_sum "Ca1 U3 Ti8 O24"
_cell_length_a 7.50474
_cell_length_b 7.85782394
_cell_length_c 8.45750307
_cell_angle_alpha 98.93237861
_cell_angle_beta 111.53004347
_cell_angle_gamma 94.83442283
_space_group_nam... | data_image0
_chemical_formula_structural CaU3Ti8O24
_chemical_formula_sum "Ca1 U3 Ti8 O24"
_cell_length_a 7.50474
_cell_length_b 7.85782394
_cell_length_c 8.45750307
_cell_angle_alpha 98.93237861
_cell_angle_beta 111.53004347
_cell_angle_gamma 94.83442283
_space_group_nam... |
MoveAtomAction | a4633b16-49c7-4370-af0e-9030948dabda | mp-1181827 | Move the atom at index 48 by [-1.307 1.399 2.618] angstrom in the cif file. | data_image0
_chemical_formula_structural Er12N4F40
_chemical_formula_sum "Er12 N4 F40"
_cell_length_a 8.12643323
_cell_length_b 8.12643323
_cell_length_c 13.371717
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.92402119000002
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Er12N4F40
_chemical_formula_sum "Er12 N4 F40"
_cell_length_a 8.12643323
_cell_length_b 8.12643323
_cell_length_c 13.371717
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.92402119000002
_space_group_name_H-M_alt ... |
MoveAtomAction | bf52d79b-fe64-438d-bc7c-7e7daf9a4a2e | mp-641116 | Move the atom at index 3 by [ 1.475 -0.36 -0.115] angstrom in the cif file. | data_image0
_chemical_formula_structural GdMn4Cu3O12
_chemical_formula_sum "Gd1 Mn4 Cu3 O12"
_cell_length_a 6.37845994
_cell_length_b 6.4576094
_cell_length_c 6.45219108
_cell_angle_alpha 111.0051748
_cell_angle_beta 110.61174709
_cell_angle_gamma 107.00825315
_space_grou... | data_image0
_chemical_formula_structural GdMn4Cu3O12
_chemical_formula_sum "Gd1 Mn4 Cu3 O12"
_cell_length_a 6.37845994
_cell_length_b 6.4576094
_cell_length_c 6.45219108
_cell_angle_alpha 111.0051748
_cell_angle_beta 110.61174709
_cell_angle_gamma 107.00825315
_space_grou... |
MoveAtomAction | 1e697fa7-29ba-4440-a9e7-1310c5380cfc | mp-1177674 | Move the atom at index 38 by [-1.274 3.017 -1.613] angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Mn16O32
_chemical_formula_sum "Li12 Mn16 O32"
_cell_length_a 8.357872
_cell_length_b 8.88809956
_cell_length_c 10.12754406
_cell_angle_alpha 116.01511995
_cell_angle_beta 114.00596833
_cell_angle_gamma 89.78675433
_space_group_... | data_image0
_chemical_formula_structural Li12Mn16O32
_chemical_formula_sum "Li12 Mn16 O32"
_cell_length_a 8.357872
_cell_length_b 8.88809956
_cell_length_c 10.12754406
_cell_angle_alpha 116.01511995
_cell_angle_beta 114.00596833
_cell_angle_gamma 89.78675433
_space_group_... |
MoveAtomAction | d13a1c2b-8da4-4ef9-8685-c2dd7b77ac1b | mp-1105260 | Move the atom at index 0 by [ 0.619 0.588 -1.527] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb8In2Ge8Rh2
_chemical_formula_sum "Tb8 In2 Ge8 Rh2"
_cell_length_a 10.44400831
_cell_length_b 10.444008309999997
_cell_length_c 10.37373357
_cell_angle_alpha 75.29995745
_cell_angle_beta 75.29995745
_cell_angle_gamma 23.63367846000... | data_image0
_chemical_formula_structural Tb8In2Ge8Rh2
_chemical_formula_sum "Tb8 In2 Ge8 Rh2"
_cell_length_a 10.44400831
_cell_length_b 10.444008309999997
_cell_length_c 10.37373357
_cell_angle_alpha 75.29995745
_cell_angle_beta 75.29995745
_cell_angle_gamma 23.63367846000... |
MoveAtomAction | 5443240c-c0c1-46a6-80b9-8138aee1cc6f | mp-1178619 | Move the atom at index 37 by [-1.793 0.881 0.252] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr2Cl8O32
_chemical_formula_sum "Zr2 Cl8 O32"
_cell_length_a 8.27100313
_cell_length_b 8.27100313
_cell_length_c 13.87605052
_cell_angle_alpha 75.16549651
_cell_angle_beta 75.16549651
_cell_angle_gamma 63.03230164000001
_space_grou... | data_image0
_chemical_formula_structural Zr2Cl8O32
_chemical_formula_sum "Zr2 Cl8 O32"
_cell_length_a 8.27100313
_cell_length_b 8.27100313
_cell_length_c 13.87605052
_cell_angle_alpha 75.16549651
_cell_angle_beta 75.16549651
_cell_angle_gamma 63.03230164000001
_space_grou... |
MoveAtomAction | af5bc015-e2b2-4b20-9e7c-41fee9a11ed7 | mp-581602 | Move the atom at index 0 by [ 1.915 -6.37 -1.922] angstrom in the cif file. | data_image0
_chemical_formula_structural Zn12S12
_chemical_formula_sum "Zn12 S12"
_cell_length_a 37.83798865
_cell_length_b 37.83798863
_cell_length_c 37.83798932
_cell_angle_alpha 5.84502688000007
_cell_angle_beta 5.8450271900000885
_cell_angle_gamma 5.845026259999922
_s... | data_image0
_chemical_formula_structural Zn12S12
_chemical_formula_sum "Zn12 S12"
_cell_length_a 37.83798865
_cell_length_b 37.83798863
_cell_length_c 37.83798932
_cell_angle_alpha 5.84502688000007
_cell_angle_beta 5.8450271900000885
_cell_angle_gamma 5.845026259999922
_s... |
MoveAtomAction | dbea466f-800e-43d3-b04c-0080824d3199 | mp-1195898 | Move the atom at index 51 by [-0.173 -0.68 4.374] angstrom in the cif file. | data_image0
_chemical_formula_structural Na32Fe8O24
_chemical_formula_sum "Na32 Fe8 O24"
_cell_length_a 8.27161625
_cell_length_b 10.735101730000002
_cell_length_c 11.804437
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 110.32355269
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Na32Fe8O24
_chemical_formula_sum "Na32 Fe8 O24"
_cell_length_a 8.27161625
_cell_length_b 10.735101730000002
_cell_length_c 11.804437
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 110.32355269
_space_group_name_H-M_... |
MoveAtomAction | 19efe71c-7f76-4114-930b-8dc19e5a8746 | mp-2589 | Move the atom at index 8 by [ 1.567 2.604 -1.803] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4O8
_chemical_formula_sum "Mg4 O8"
_cell_length_a 4.82861247
_cell_length_b 4.82861247
_cell_length_c 4.82861247
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_... | data_image0
_chemical_formula_structural Mg4O8
_chemical_formula_sum "Mg4 O8"
_cell_length_a 4.82861247
_cell_length_b 4.82861247
_cell_length_c 4.82861247
_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_... |
MoveAtomAction | f33876f8-4a1b-48da-be46-9c1f75da8989 | mp-761038 | Move the atom at index 9 by [ 0.117 1.315 -1.475] angstrom in the cif file. | data_image0
_chemical_formula_structural Li10Ni4P6O24
_chemical_formula_sum "Li10 Ni4 P6 O24"
_cell_length_a 8.318733
_cell_length_b 8.35928295
_cell_length_c 9.17467443
_cell_angle_alpha 63.41981986
_cell_angle_beta 63.34008638
_cell_angle_gamma 60.19371216
_space_group_... | data_image0
_chemical_formula_structural Li10Ni4P6O24
_chemical_formula_sum "Li10 Ni4 P6 O24"
_cell_length_a 8.318733
_cell_length_b 8.35928295
_cell_length_c 9.17467443
_cell_angle_alpha 63.41981986
_cell_angle_beta 63.34008638
_cell_angle_gamma 60.19371216
_space_group_... |
MoveAtomAction | 4ad26b76-224f-492d-9676-1d27271afd5f | mp-1194528 | Move the atom at index 24 by [-3.598 -0.477 2.076] angstrom in the cif file. | data_image0
_chemical_formula_structural Dy2Fe12Sn12
_chemical_formula_sum "Dy2 Fe12 Sn12"
_cell_length_a 10.3699004
_cell_length_b 10.3699004
_cell_length_c 5.412103
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 128.86439674
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Dy2Fe12Sn12
_chemical_formula_sum "Dy2 Fe12 Sn12"
_cell_length_a 10.3699004
_cell_length_b 10.3699004
_cell_length_c 5.412103
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 128.86439674
_space_group_name_H-M_alt ... |
MoveAtomAction | cfc3f6c0-0696-4ca5-bf06-a7e22688348f | mp-2212246 | Move the atom at index 23 by [-0.926 -0.539 1.932] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr8Nb4O18
_chemical_formula_sum "Sr8 Nb4 O18"
_cell_length_a 5.90872405
_cell_length_b 5.90872062
_cell_length_c 15.762812549999998
_cell_angle_alpha 90.00005021
_cell_angle_beta 89.99995657
_cell_angle_gamma 120.00006697999999
_sp... | data_image0
_chemical_formula_structural Sr8Nb4O18
_chemical_formula_sum "Sr8 Nb4 O18"
_cell_length_a 5.90872405
_cell_length_b 5.90872062
_cell_length_c 15.762812549999998
_cell_angle_alpha 90.00005021
_cell_angle_beta 89.99995657
_cell_angle_gamma 120.00006697999999
_sp... |
MoveAtomAction | 0740a023-8b86-436f-8a68-6ebd48ec4945 | mp-1237973 | Move the atom at index 4 by [ 1.544 -3.544 -2.398] angstrom in the cif file. | data_image0
_chemical_formula_structural Y2Mg2S6
_chemical_formula_sum "Y2 Mg2 S6"
_cell_length_a 6.92440926
_cell_length_b 6.92440926
_cell_length_c 6.788429890000001
_cell_angle_alpha 73.7108485
_cell_angle_beta 73.7108485
_cell_angle_gamma 111.76076144
_space_group_nam... | data_image0
_chemical_formula_structural Y2Mg2S6
_chemical_formula_sum "Y2 Mg2 S6"
_cell_length_a 6.92440926
_cell_length_b 6.92440926
_cell_length_c 6.788429890000001
_cell_angle_alpha 73.7108485
_cell_angle_beta 73.7108485
_cell_angle_gamma 111.76076144
_space_group_nam... |
MoveAtomAction | 9ebadf0e-6cbd-43c1-a56a-37ca80c13d84 | mp-543011 | Move the atom at index 11 by [ 2.598 -0.978 0.07 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Zn7S7
_chemical_formula_sum "Zn7 S7"
_cell_length_a 22.15738029
_cell_length_b 22.15738029
_cell_length_c 22.15738081
_cell_angle_alpha 9.99203003000004
_cell_angle_beta 9.992030030000002
_cell_angle_gamma 9.992031460000021
_space_... | data_image0
_chemical_formula_structural Zn7S7
_chemical_formula_sum "Zn7 S7"
_cell_length_a 22.15738029
_cell_length_b 22.15738029
_cell_length_c 22.15738081
_cell_angle_alpha 9.99203003000004
_cell_angle_beta 9.992030030000002
_cell_angle_gamma 9.992031460000021
_space_... |
MoveAtomAction | 67a97c3e-c81f-44ed-9fe7-2478fcfdcb85 | mp-1191430 | Move the atom at index 20 by [ 2.175 -0.833 2.993] angstrom in the cif file. | data_image0
_chemical_formula_structural Cu4Cl12O8
_chemical_formula_sum "Cu4 Cl12 O8"
_cell_length_a 10.034075
_cell_length_b 5.768547
_cell_length_c 8.95964876
_cell_angle_alpha 69.11527901
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Cu4Cl12O8
_chemical_formula_sum "Cu4 Cl12 O8"
_cell_length_a 10.034075
_cell_length_b 5.768547
_cell_length_c 8.95964876
_cell_angle_alpha 69.11527901
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveAtomAction | d077a555-e7aa-4408-902e-b56c4a7d15bb | mp-1245289 | Move the atom at index 63 by [-0.956 1.509 1.036] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr8Fe24O48
_chemical_formula_sum "Cr8 Fe24 O48"
_cell_length_a 9.89420268
_cell_length_b 9.75812442
_cell_length_c 10.41023344
_cell_angle_alpha 97.09655927
_cell_angle_beta 92.28434856
_cell_angle_gamma 92.56407816000001
_space_gr... | data_image0
_chemical_formula_structural Cr8Fe24O48
_chemical_formula_sum "Cr8 Fe24 O48"
_cell_length_a 9.89420268
_cell_length_b 9.75812442
_cell_length_c 10.41023344
_cell_angle_alpha 97.09655927
_cell_angle_beta 92.28434856
_cell_angle_gamma 92.56407816000001
_space_gr... |
MoveAtomAction | 4477512c-819e-4926-bc72-026f15e1ea33 | mp-1035479 | Move the atom at index 19 by [1.669 2.576 1.162] angstrom in the cif file. | data_image0
_chemical_formula_structural RbLiMg14O15
_chemical_formula_sum "Rb1 Li1 Mg14 O15"
_cell_length_a 4.204973
_cell_length_b 8.266132
_cell_length_c 10.351018
_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 RbLiMg14O15
_chemical_formula_sum "Rb1 Li1 Mg14 O15"
_cell_length_a 4.204973
_cell_length_b 8.266132
_cell_length_c 10.351018
_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 | 4236b546-9641-4a45-9ba3-1d5c16b267ae | mp-1207356 | Move the atom at index 3 by [-1.406 -4.124 0.119] angstrom in the cif file. | data_image0
_chemical_formula_structural RbTm3O6
_chemical_formula_sum "Rb1 Tm3 O6"
_cell_length_a 9.51444701
_cell_length_b 9.51444701
_cell_length_c 49.783382
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 101.33830283
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural RbTm3O6
_chemical_formula_sum "Rb1 Tm3 O6"
_cell_length_a 9.51444701
_cell_length_b 9.51444701
_cell_length_c 49.783382
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 101.33830283
_space_group_name_H-M_alt "P 1"
... |
MoveAtomAction | 8aa64f92-5ff7-41d7-ae0b-87b35941f435 | mp-1200969 | Move the atom at index 52 by [ 0.684 2.214 -2.486] 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 | 39466c6c-4343-4e44-8de9-de189ee0a1b7 | mp-1237178 | Move the atom at index 1 by [ 1.895 -2.534 -4.243] angstrom in the cif file. | data_image0
_chemical_formula_structural Hf3NiF6
_chemical_formula_sum "Hf3 Ni1 F6"
_cell_length_a 6.82183954
_cell_length_b 4.95137311
_cell_length_c 12.058364869999998
_cell_angle_alpha 90.70131472
_cell_angle_beta 86.46719308
_cell_angle_gamma 133.25539137999996
_space... | data_image0
_chemical_formula_structural Hf3NiF6
_chemical_formula_sum "Hf3 Ni1 F6"
_cell_length_a 6.82183954
_cell_length_b 4.95137311
_cell_length_c 12.058364869999998
_cell_angle_alpha 90.70131472
_cell_angle_beta 86.46719308
_cell_angle_gamma 133.25539137999996
_space... |
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