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 |
|---|---|---|---|---|---|
MoveSelectedAtomsAction | b7e2ebb1-633d-4310-b6dc-d7fdf89f0c76 | mp-1516711 | Move atoms at indices [0, 9] by [ 3.273 -2.302 3.316] 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 ... |
MoveSelectedAtomsAction | 3d182f47-5536-4100-bc42-80d1a5fc3351 | mp-1224199 | Move atoms at indices [12, 2, 19, 15, 18, 9, 7, 5, 1, 10, 17, 3, 16, 14, 8, 20, 0, 6, 11, 13] by [-0.409 -0.624 -2.811] 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... |
MoveSelectedAtomsAction | 073e6f59-827c-4e0b-b9c5-ed1e06572ab5 | mp-1173638 | Move atoms at indices [20, 2, 33, 11, 23, 17, 28, 27, 14, 1, 12, 32, 16, 31, 8, 30, 6, 29, 19, 10, 5, 18, 4, 0, 26, 13, 9, 34, 21, 22, 3] by [ 1.783 2.064 -1.33 ] 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... |
MoveSelectedAtomsAction | f5e9d76d-ae90-4ff5-aee5-62e98b2bf9eb | mp-642822 | Move atoms at indices [0, 11, 6, 7, 8, 4, 2, 10, 9, 1, 5] by [-3.324 0.965 0.15 ] 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... |
MoveSelectedAtomsAction | 616408d1-02b2-4457-80c2-234f9bd89a29 | mp-1218836 | Move atoms at indices [4, 1, 10, 13, 12, 7, 9, 11, 5, 14] by [ 3.149 0.596 -1.062] 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... |
MoveSelectedAtomsAction | e2ec9f91-0e9e-464c-8d5b-bc47450d1eec | mp-1111253 | Move atoms at indices [9, 0, 5] by [1.649 1.655 0.864] 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... |
MoveSelectedAtomsAction | 1e711834-7322-4584-a1b4-da1806275870 | mp-1079634 | Move atoms at indices [6, 0, 4, 2, 9, 3, 5, 7] by [-1.126 -1.369 -1.472] 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 ... |
MoveSelectedAtomsAction | 00d79f78-993c-42fd-82d9-436ad83072b5 | mp-1035975 | Move atoms at indices [5, 3, 26, 7, 30, 27, 21, 0, 20, 8, 22, 1, 18, 6, 19, 25, 16, 10, 4, 17, 14, 9, 11, 24, 12, 29, 23, 2] by [-2.237 0.338 0.21 ] 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... |
MoveSelectedAtomsAction | 5a59796b-8e8d-4290-a36f-ea55d9874d2e | mp-2215839 | Move atoms at indices [4, 8, 9, 6, 2, 0, 3, 5, 10, 1, 7] by [ 2.623 3.026 -3.212] 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... |
MoveSelectedAtomsAction | 15448655-d5b9-4c23-8aa2-d1f204f00d62 | mp-1213803 | Move atoms at indices [16, 14, 7, 2, 13, 15, 1, 8, 9, 17, 11, 3, 6, 5] by [ 1.367 0.255 -1.486] 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"... |
MoveSelectedAtomsAction | b0a5660a-30a9-4dc4-b6d8-34bf635a5bf3 | mp-1019801 | Move atoms at indices [8, 2] by [-0.906 1.921 -0.187] 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... |
MoveSelectedAtomsAction | faf69a98-66b4-4c8a-a769-283ed97057dc | mp-1112234 | Move atoms at indices [1] by [ 0.834 -3.028 3.055] 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... |
MoveSelectedAtomsAction | baf647c6-c3ea-4873-b856-2cd1a3c9007f | mp-862605 | Move atoms at indices [24, 4, 12, 0, 23, 1, 10, 17, 6, 22, 28, 9, 11, 2, 26, 25, 3, 21, 19, 18, 5, 13, 15] by [-1.696 2.253 4.015] 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... |
MoveSelectedAtomsAction | f13a43c1-9939-42c2-a16e-159051679992 | mp-779472 | Move atoms at indices [8, 6, 23, 12, 1, 30, 4, 28, 3, 7, 22, 10, 24, 29, 26, 27, 25] by [1.28 2.428 2.847] 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_... |
MoveSelectedAtomsAction | d4a2899f-dcfb-4015-b01f-55ccef2c31a7 | mp-1209474 | Move atoms at indices [1] by [-1.322 0.583 3.133] 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... |
MoveSelectedAtomsAction | 736c51d6-8a5d-431b-a7ca-1266e1230e66 | mp-1220416 | Move atoms at indices [10, 8, 2, 5, 6, 3, 11, 0, 4, 1, 7, 9] by [1.003 3.705 1.225] 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 ... |
MoveSelectedAtomsAction | 95d8bd17-d927-4a25-bace-d1ce6e02e79e | mp-1210838 | Move atoms at indices [14, 20, 4, 8, 5, 2, 18, 11, 7, 25, 22, 9, 23, 6, 12, 19, 15, 24, 13, 3, 16, 1, 17, 26, 10, 0] by [ 4.388 -0.224 -2.854] 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"... |
MoveSelectedAtomsAction | 6506d058-10f2-4a97-a1b0-c4143531bf47 | mp-21717 | Move atoms at indices [29, 14, 24, 1, 33, 0, 5, 10, 16, 2, 21, 8, 4, 17, 36, 25, 30, 6] by [-4.364 0.621 -0.174] 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... |
MoveSelectedAtomsAction | e8b04a95-ebaf-4fad-a95a-3c7d57215b7c | mp-8081 | Move atoms at indices [3, 11, 9, 6, 1, 16, 5, 4] by [-0.218 -1.665 0.351] 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... |
MoveSelectedAtomsAction | b8d66027-979a-4ac0-bfc7-14997b996202 | mp-800259 | Move atoms at indices [2] by [ 2.95 -2.498 4.245] 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... |
MoveSelectedAtomsAction | 06fb5638-0b62-4b20-b64b-0ea4bcc1473d | mp-1194481 | Move atoms at indices [8, 26, 1, 15, 12, 17] by [-0.204 -1.396 2.33 ] 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_... |
MoveSelectedAtomsAction | 7d5ddc44-eb6a-4879-8440-80c71ccf5b07 | mp-1209658 | Move atoms at indices [18, 11, 23, 2, 5, 13, 9, 3, 8, 7, 14, 24, 27, 0, 21, 16, 22, 17, 25] by [-2.052 -2.643 0.074] 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... |
MoveSelectedAtomsAction | 86da4a39-f1c2-4149-8698-d002b7747012 | mp-28763 | Move atoms at indices [18, 4, 11, 3, 36, 46, 32, 22, 34, 27, 20, 45, 8, 39, 10, 6, 1, 33, 29, 9, 25, 47, 0, 16, 17, 42, 7, 37, 23, 21, 24, 12, 5, 2, 38, 15, 14, 44, 26, 19, 31, 41, 40, 43, 13, 28] by [-1.933 -0.538 1.54 ] 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 ... |
MoveSelectedAtomsAction | 793d48a2-cbf0-4833-afdb-7c73c5aef5ee | mp-1032803 | Move atoms at indices [7] by [ 0.341 1.853 -1.014] 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"
_... |
MoveSelectedAtomsAction | fedcf278-2fce-4c77-b60b-97f47b7e7f61 | mp-1017477 | Move atoms at indices [15, 5, 14, 3, 8, 2, 0, 10, 12, 4, 6, 11, 7, 1, 9, 13] by [ 0.576 -0.619 1.249] 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... |
MoveSelectedAtomsAction | b7a19238-2e05-4ced-a494-bc4558b75247 | mp-2218799 | Move atoms at indices [10, 12, 0, 4, 11, 5, 7, 3, 1, 2, 9] by [ 1.986 -0.649 0.313] 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... |
MoveSelectedAtomsAction | e249d05c-1356-4ec7-8540-40c9111308ce | mp-685281 | Move atoms at indices [5, 25, 11, 18, 19, 23] by [ 2.578 -1.171 -2.367] 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... |
MoveSelectedAtomsAction | 4675ad67-ac48-4ff2-9344-6266ea4cafa7 | mp-1228545 | Move atoms at indices [11, 21, 22, 16, 18, 20, 8, 9] by [-0.688 -0.751 -0.999] 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... |
MoveSelectedAtomsAction | 36997058-373a-43b2-bfb4-bf5f54ad008e | mp-1518745 | Move atoms at indices [8] by [1.614 2.035 0.785] 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... |
MoveSelectedAtomsAction | ecb86512-0f4d-4f75-94ee-f79f7d3f76a0 | mp-1179984 | Move atoms at indices [8, 20, 1, 9, 2, 23, 14, 11, 4] by [ 1.608 -2.748 2.376] 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... |
MoveSelectedAtomsAction | 2d2e4986-8a1d-4e93-adc1-70c6bf0f9163 | mp-1104537 | Move atoms at indices [10, 12, 1, 8, 3, 7, 11, 6] by [ 2.624 1.026 -1.338] 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... |
MoveSelectedAtomsAction | df5e6046-e42c-41b1-bbdb-3314763b4985 | mp-1026412 | Move atoms at indices [11, 3, 9, 0, 6, 13] by [-0.754 -1.773 1.871] 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... |
MoveSelectedAtomsAction | 2e781df5-a723-460d-aecb-8ff81e70570c | mp-545404 | Move atoms at indices [11, 8, 2] by [ 0.212 -1.983 -0.007] 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... |
MoveSelectedAtomsAction | fab8eee2-96aa-4f66-a151-4b2c430bd36e | mp-1214455 | Move atoms at indices [28, 34, 14, 31, 39, 10, 40, 46, 23, 17, 43, 12, 36, 9, 41, 7, 15, 33, 30, 21, 27, 18, 5, 19, 0, 44, 47, 32, 1, 2, 22, 42, 35, 29, 25, 11, 26, 3] by [ 1.505 -1.597 0.152] 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... |
MoveSelectedAtomsAction | 9902553c-e9c7-413c-a8d8-e1a0b4c60b78 | mp-1043054 | Move atoms at indices [27, 20, 42, 1, 21, 3, 15, 37, 41, 32, 6, 17, 22, 18, 11, 5, 30, 2, 44, 34, 39, 45, 47, 33, 19, 54, 36, 31, 16, 29, 26, 25, 35, 9, 49, 46, 51, 48, 10, 13, 50, 7, 8, 52, 24, 43, 55] by [ 0.949 -2.212 1.164] 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 ... |
MoveSelectedAtomsAction | c6e90b99-a1ab-41ba-ab84-6651f13138a6 | mp-1223532 | Move atoms at indices [7, 13] by [ 0.172 2.368 -1.751] 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... |
MoveSelectedAtomsAction | 06ecc598-0794-40ab-8dbb-ffa19348d6cc | mp-759887 | Move atoms at indices [44, 16, 55, 47, 20, 52, 30, 27, 65, 14, 3, 63, 32, 50, 4, 64] by [ 1.9 3.737 -1.213] 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 ... |
MoveSelectedAtomsAction | b8c7e50d-7324-4ae1-add4-34f132d156e6 | mp-626121 | Move atoms at indices [10, 13, 8, 4, 9, 0, 11] by [ 1.912 0.014 -0.727] 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... |
MoveSelectedAtomsAction | ee700018-ec09-4749-9266-36e4fae8e5f7 | mp-765641 | Move atoms at indices [53, 26, 23, 44, 21, 19, 14, 55, 54, 20, 42, 0, 25, 33, 2, 8, 24, 28, 29, 15, 51, 43, 1, 36, 18, 49, 9, 39, 40, 5, 13, 34, 10, 12, 45, 16, 46, 6, 30, 27, 3, 50, 37, 22, 32, 7, 47, 17, 31, 41, 52] by [ 0.413 -2.127 -2.759] 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... |
MoveSelectedAtomsAction | b8447042-7adc-49e2-8e00-0a4b5e3666d0 | mp-7062 | Move atoms at indices [0, 9, 2, 4, 16, 14, 17, 6, 12, 8, 13, 5, 7, 15, 3, 1] by [ 0.358 0.277 -1.897] 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... |
MoveSelectedAtomsAction | 148a9360-fedf-454f-ad43-d466fd856e2b | mp-1221030 | Move atoms at indices [55, 21, 4, 5, 2, 47, 16, 23, 36, 29, 13, 39, 38, 32, 20, 43, 51, 3, 19, 34, 25, 44, 40, 11, 12, 0, 24, 54, 1, 49, 53, 10, 52, 30, 15, 31, 22, 50, 41, 9, 48, 35] by [-1.583 1.057 1.205] 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 ... |
MoveSelectedAtomsAction | 9befa5cc-b912-4c6f-9cb8-c34461277a77 | mp-759549 | Move atoms at indices [17, 9, 4, 15, 25, 19, 26, 6, 28, 14, 29, 20, 11, 12, 0, 24, 8, 10, 33, 13, 32, 27, 16, 22] by [1.734 2.1 0.776] 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... |
MoveSelectedAtomsAction | 8fb9c7ad-98d6-4193-b53b-2b5345864594 | mp-1113577 | Move atoms at indices [7, 8, 2, 5, 0, 9, 6, 3, 4, 1] by [ 0.515 2.829 -1.156] 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... |
MoveSelectedAtomsAction | 0b32bd99-6d55-4b8b-b031-3f2339a613ca | mp-13211 | Move atoms at indices [14, 8, 12, 11, 19, 3] by [ 0.431 -0.458 1.933] 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... |
MoveSelectedAtomsAction | 6092d66d-308d-431a-92d6-010a11506545 | mp-1197552 | Move atoms at indices [6, 5, 8, 20, 18] by [ 3.986 -2.533 0.909] 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... |
MoveSelectedAtomsAction | f144cad3-426c-49db-86c0-ad868c693607 | mp-703305 | Move atoms at indices [15, 27, 2, 21, 23, 31, 11, 12, 30, 20, 14] by [ 0.398 -1.59 0.68 ] 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... |
MoveSelectedAtomsAction | cfb92594-d271-4ca4-ad88-593a8cfad384 | mp-2240398 | Move atoms at indices [2, 8, 3, 5, 9, 7, 0, 6, 1, 10] by [ 4.18 -2.779 -2.758] 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... |
MoveSelectedAtomsAction | dda079e9-a7bb-4603-a34c-563a888aabc2 | mp-720255 | Move atoms at indices [0, 4, 22, 68, 47, 83, 16, 39, 6, 5, 81, 76, 30, 2, 36, 60, 24, 42, 55, 71, 78, 45, 31, 7, 18, 63] by [ 1.293 -0.185 -1.807] 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... |
MoveSelectedAtomsAction | 50bfad7f-691d-43e2-b590-17575a5a0ec3 | mp-27741 | Move atoms at indices [7, 1] by [-0.959 0.984 -2.367] 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 ... |
MoveSelectedAtomsAction | bcce0c02-5513-444f-a0b9-9d2977c072c5 | mp-1179899 | Move atoms at indices [18, 17, 20, 11, 23, 27, 6, 0, 22, 16, 1, 12, 7, 14, 26, 3, 5, 2, 19] by [ 0.171 -2.63 -0.695] 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_... |
MoveSelectedAtomsAction | d35b4cfc-0642-4255-b15c-d9be566dffc5 | mp-29267 | Move atoms at indices [26, 52, 15, 40, 62, 9, 57, 7, 45] by [-1.498 -1.051 -2.307] 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... |
MoveSelectedAtomsAction | 6d826199-7f57-4673-9b17-45040d7b3032 | mp-1225820 | Move atoms at indices [9, 2, 6, 4, 12, 5, 8, 10, 0, 1, 13, 11] by [-0.794 -3.429 -0.179] 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... |
MoveSelectedAtomsAction | 8eba133b-a7b6-4976-9c92-f34d158ef041 | mp-1247664 | Move atoms at indices [7, 9, 14, 27, 19, 18, 0, 28, 20, 30, 33, 5, 31, 13, 16, 36, 24, 15, 11, 26, 23, 37, 4, 39] by [ 0.888 2.198 -0.625] 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... |
MoveSelectedAtomsAction | 27c83425-d810-48f7-8d93-31ea3be6a5f6 | mp-636519 | Move atoms at indices [3, 13, 1, 8, 7, 10, 4, 0, 5, 12, 6] by [ 0.665 0.823 -3.614] 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_... |
MoveSelectedAtomsAction | db2f6af4-4873-48fd-bdb1-0e0f22eb761f | mp-1020642 | Move atoms at indices [80, 4, 14, 47, 62, 28, 33, 36, 75, 49, 45, 66, 0, 57, 22, 24, 51, 15, 23, 72, 61, 6, 53, 11, 26, 34, 58, 78, 83, 56, 55, 54, 5, 74, 42, 12, 21, 8, 48, 76, 19, 9, 17, 3, 2, 65, 41, 50, 1, 67, 10, 38, 63, 59, 18, 27, 64, 70, 79, 40, 71, 20, 29, 68, 31, 39] by [3.498 2.852 0.143] angstrom in the cif... | 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... |
MoveSelectedAtomsAction | bab22e78-a84b-41ba-92cd-24823f9a3b28 | mp-11609 | Move atoms at indices [1, 5, 4, 8, 9, 2, 7] by [ 2.72 2.426 -1.99 ] 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... |
MoveSelectedAtomsAction | 7dbae45f-d134-415f-92d0-2ad654e1796b | mp-34578 | Move atoms at indices [1, 19, 18, 8, 38, 27, 14, 46, 11, 7, 33, 3, 22, 2, 0, 31, 32, 16, 30, 45, 17, 47, 37, 35, 39, 42, 23, 40, 15, 13, 10, 44, 29, 21, 9, 6, 24, 5, 20, 34, 36, 4, 41, 12, 26, 28, 25, 43] by [-3.576 -3.18 -3.027] 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-... |
MoveSelectedAtomsAction | 6f24ef41-b318-4be4-921b-bc8e030a4348 | mp-1199595 | Move atoms at indices [11, 47, 45, 39] by [ 0.996 0.814 -3.084] 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... |
MoveSelectedAtomsAction | 44791702-0fcb-4020-8836-af78bb88e03a | mp-641010 | Move atoms at indices [24, 13, 29, 31, 30, 0, 2, 17, 10, 9, 26, 23, 1, 34, 28, 19, 12, 16, 27, 32, 21, 14, 15] by [1.872 2.757 3.589] 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"
... |
MoveSelectedAtomsAction | 3ba1795c-0220-4e8a-a113-f589a71314cb | mp-1176021 | Move atoms at indices [23, 7, 21, 10, 13, 4, 26, 0, 28, 19, 5, 25, 17, 11, 27, 3, 9] by [0.333 0.545 2.469] 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... |
MoveSelectedAtomsAction | 861a8b4e-c03b-4932-a8d0-2606cc652b2e | mp-2219397 | Move atoms at indices [11, 7, 3, 6, 2, 9] by [-0.439 3.582 0.118] 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... |
MoveSelectedAtomsAction | 04c661ee-df42-4a88-b361-f1c650cc5edc | mp-1174614 | Move atoms at indices [15, 4, 10, 14, 20, 16, 1] by [-4.181 -0.155 -0.849] 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... |
MoveSelectedAtomsAction | c7168d1b-fb96-41b3-9f36-392fa67091df | mp-766542 | Move atoms at indices [14, 26, 4, 1, 25, 10, 11, 5] by [-0.207 -1.588 3.937] 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... |
MoveSelectedAtomsAction | d411b8b3-fb92-4520-b998-a77ebc97b55d | mp-1219949 | Move atoms at indices [3, 6, 10, 16, 9, 2, 7, 4, 17, 5, 12] by [-2.185 0.625 -1.333] 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... |
MoveSelectedAtomsAction | b2281ee9-d8b0-47c4-b621-db5e3971a93a | mp-7998 | Move atoms at indices [11, 6, 0, 10, 17, 14, 4, 8, 1, 16, 7, 12] by [-1.688 0.749 -0.661] 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... |
MoveSelectedAtomsAction | 7336894f-a910-4406-8072-02a704e5fb61 | mp-1103868 | Move atoms at indices [4, 7] by [0.288 5.915 1.579] 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_... |
MoveSelectedAtomsAction | b9775299-6da0-42c9-9bd5-09846d88578d | mp-1104546 | Move atoms at indices [12, 13, 7, 9, 4, 0, 5, 2, 3, 1] by [1.899 2.964 3.093] 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... |
MoveSelectedAtomsAction | 3c7af497-ae1b-49d4-b15c-658660fe9e25 | mp-560937 | Move atoms at indices [21, 27, 6, 18, 2, 11, 32, 13, 1, 19, 4, 7, 8, 30, 9, 15, 31, 3, 20, 12, 14] by [-1.838 3.266 1.576] 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
... |
MoveSelectedAtomsAction | 00e858e8-beec-4b9c-917a-6fa5d5cf1e72 | mp-862697 | Move atoms at indices [1, 0, 5, 6] by [-0.558 -0.064 -0.402] 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... |
MoveSelectedAtomsAction | a99dd9fd-32a8-4cf7-9828-f16d22b0d0ee | mp-34578 | Move atoms at indices [14, 4, 35, 42, 13, 15, 34, 6, 12, 3, 9, 44, 40, 29, 25, 7, 18, 27, 23, 0, 16, 30, 38, 5, 46, 8, 39, 24, 32, 20, 1, 17, 22, 36, 41, 19, 33, 2, 47] by [1.504 4.594 2.988] 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-... |
MoveSelectedAtomsAction | cbe5bab2-16f1-4d51-bf07-08090196b815 | mp-1111088 | Move atoms at indices [5] by [-0.948 1.057 0.407] 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... |
MoveSelectedAtomsAction | b729ec4c-c100-4678-a304-ff7c54e0322b | mp-1210476 | Move atoms at indices [48, 68, 46, 13, 17, 42, 29, 20, 16, 2, 49, 10, 67, 41, 40, 30, 1, 51, 60, 61, 65, 47, 28, 24, 25, 14, 6, 35, 33, 31, 54, 39, 50, 7, 36, 34, 44, 57, 19, 22, 9, 56, 0, 38, 37, 18, 15, 21, 32, 11, 69, 45, 63, 27, 43, 26, 58, 55, 5, 53, 52, 23, 12, 59] by [0.095 1.558 1.923] 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
... |
MoveSelectedAtomsAction | 73ac19ef-e770-437c-9008-55d29ab344f3 | mp-1197555 | Move atoms at indices [35, 26, 10, 16, 34, 28, 11, 31, 6, 17] by [-0.146 -1.916 1.705] 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... |
MoveSelectedAtomsAction | ef002fe0-314e-46c7-a99c-a84f4f609481 | mp-770361 | Move atoms at indices [22, 27, 21, 31, 0] by [-0.335 3.559 -4.105] 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... |
MoveSelectedAtomsAction | b8b10dde-5657-45ee-a14c-f3b8e36db1d4 | mp-1195337 | Move atoms at indices [37, 10, 46, 41, 15, 12, 23, 4, 21, 42, 29, 30, 44, 16, 40, 14] by [-0.627 0.108 -4.475] 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-... |
MoveSelectedAtomsAction | 70291a7e-696a-4c68-9315-ed2d198257bf | mp-1192688 | Move atoms at indices [22, 16, 6, 1, 17, 2, 7, 15, 26, 8, 20, 5, 23] by [1.848 2.031 0.686] 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... |
MoveSelectedAtomsAction | 75deade6-81f2-4b70-8947-40550c7d4ff7 | mp-38090 | Move atoms at indices [37, 21, 34, 13, 22, 2, 40, 38, 18, 19, 17, 0, 4, 15, 20, 28, 3, 32, 35, 27, 8, 26, 7, 12, 14, 5, 41, 16] by [-2.382 1.253 -1.254] 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... |
MoveSelectedAtomsAction | df5daf13-c954-4cbf-b8e9-12389e341a02 | mp-530303 | Move atoms at indices [47, 9] by [-0.082 -0.924 0.348] 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
_... |
MoveSelectedAtomsAction | 51f26cf9-d167-4bfa-b376-6276852c0f70 | mp-2913130 | Move atoms at indices [3, 0, 5, 2, 7, 6, 1, 9, 8] by [-0.983 2.6 0.023] 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_... |
MoveSelectedAtomsAction | 80e71c32-a572-404b-a018-d0dccc7ccf9b | mp-755878 | Move atoms at indices [10, 3, 6, 9, 8, 14, 16, 17, 5, 1, 4] by [-0.683 -1.096 -0.141] 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... |
MoveSelectedAtomsAction | 9a901c34-2a66-435f-87b0-5c80ba96d734 | mp-1227253 | Move atoms at indices [12, 35, 27, 0, 22, 2, 34, 7, 25, 21, 16, 24, 15, 13, 29, 11, 33, 32, 4, 20, 31, 30, 18, 9] by [2.932 5.392 0.505] 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... |
MoveSelectedAtomsAction | abc86806-7d6e-4907-ace1-2f1bf56950d9 | mp-1181827 | Move atoms at indices [55, 40, 7, 12, 17] by [-1.513 4.962 -0.595] 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 ... |
MoveSelectedAtomsAction | f32b119f-d60f-40cb-9d5c-0ea615cd103b | mp-641116 | Move atoms at indices [11, 0, 16, 7, 15, 3, 1, 10] by [-1.827 2.043 -3.025] 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... |
MoveSelectedAtomsAction | 9a37dec7-070d-4c59-be9e-5e4e8d725d18 | mp-1177674 | Move atoms at indices [26, 37, 11, 59, 19] by [2.591 0.207 0.515] 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_... |
MoveSelectedAtomsAction | 6dbac0eb-f6cf-4daa-8fc5-fb23d9a1b69c | mp-1105260 | Move atoms at indices [8, 7, 14, 5, 0, 12, 2, 10, 15, 4, 1, 19, 13, 18, 9] by [ 1.198 -1.026 0.699] 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... |
MoveSelectedAtomsAction | 6f57dcc0-1286-4a4e-b176-dae7309781f3 | mp-1178619 | Move atoms at indices [31, 8, 6, 35, 29, 24, 32, 28, 25, 21, 7, 34, 30, 18] by [-0.147 1.189 0.928] 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... |
MoveSelectedAtomsAction | 70324578-f349-4ed2-8d5e-6bc256d7c5f4 | mp-581602 | Move atoms at indices [8, 4, 16, 19, 13, 0, 11, 20] by [ 0.051 2.302 -1.687] 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... |
MoveSelectedAtomsAction | 4146e55a-a87a-42b4-b900-cb1aff1a33fa | mp-1195898 | Move atoms at indices [47, 26, 57, 8, 35, 59, 48, 38, 49, 11, 58, 33, 4, 18, 0, 10, 63, 36, 60, 30, 14, 39, 31, 6, 61, 28, 17, 2, 20, 53, 16, 44, 52, 9, 1, 5, 32, 46, 22, 54, 37, 24, 7, 56, 51, 50, 27, 40, 34] by [-6.258 -1.874 1.402] 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_... |
MoveSelectedAtomsAction | 8beba43d-b81c-4aa7-8ca1-b196de9220b8 | mp-2589 | Move atoms at indices [4, 3, 10] by [ 0.88 0.092 -1.147] 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_... |
MoveSelectedAtomsAction | 74b9d6aa-cb05-4748-9a39-92994145b3e5 | mp-761038 | Move atoms at indices [17, 26, 30] by [-1.611 0.573 1.851] 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_... |
MoveSelectedAtomsAction | b0aa0931-badf-4f47-abeb-3f2602448ae6 | mp-1194528 | Move atoms at indices [13, 1, 9, 4, 23, 6, 21, 17, 10, 7, 12, 16, 19] by [-5.506 2.238 1.102] 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 ... |
MoveSelectedAtomsAction | 6e0266e3-e658-403f-b5a4-f949b414b19e | mp-2212246 | Move atoms at indices [12, 13, 24, 16, 19, 0, 8, 3, 1, 5, 6, 25, 22, 4, 10, 7, 14, 9, 17, 15, 11, 23, 28, 18, 2, 21, 26] by [-2.435 0.696 0.882] 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... |
MoveSelectedAtomsAction | 0f5d7c22-fa1f-4464-97a9-be8c8e95253c | mp-1237973 | Move atoms at indices [3, 2, 7, 5, 6, 4] by [ 1.82 -2.076 -3.331] 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... |
MoveSelectedAtomsAction | 573de6fc-ffeb-4e5b-96d1-0360033e16f0 | mp-543011 | Move atoms at indices [0, 12] by [0.055 0.889 2.577] 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_... |
MoveSelectedAtomsAction | 23616d24-03cc-4877-8bff-fb25f13e1aaf | mp-1191430 | Move atoms at indices [15, 16, 20, 0, 8, 21, 17, 2, 23, 19, 10, 6, 13, 7, 4, 14] by [1.505 5.035 0.9 ] 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"
... |
MoveSelectedAtomsAction | 65aaf917-548a-48c9-880b-ca4e38c89f80 | mp-1245289 | Move atoms at indices [1, 74, 14, 52, 61, 7, 24, 48, 50, 66, 53, 44, 35, 78, 58, 15, 38, 12, 79, 73, 40, 3, 10, 2, 8, 42, 71, 33, 75, 27, 28, 18, 67, 11, 54, 13, 62, 77, 6, 19, 39, 47, 43] by [-2.632 -1.555 -0.576] 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... |
MoveSelectedAtomsAction | d9c9bb5e-b488-41e3-a0aa-93421d2873e7 | mp-1035479 | Move atoms at indices [2] by [ 2.038 -0.556 0.857] 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... |
MoveSelectedAtomsAction | 6d084e9f-ac55-414e-9a17-021660921602 | mp-1207356 | Move atoms at indices [3, 1, 6, 7, 9, 2, 5, 0, 4] by [-0.185 1.787 0.764] 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"
... |
MoveSelectedAtomsAction | 0f557842-c5ae-4c79-93b2-ad479d71b3ff | mp-1200969 | Move atoms at indices [20, 39, 21, 59, 25, 66, 2, 65] by [-3.804 -0.39 2.871] 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 "... |
MoveSelectedAtomsAction | c018d8ed-3868-40a0-ac2a-8a900f9ddff5 | mp-1237178 | Move atoms at indices [5, 9, 3, 8, 6, 0, 7, 2, 4, 1] by [-0.768 0.376 -0.996] 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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