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 | aa371758-d29b-48d0-9fe8-20498736fef0 | mp-703305 | Move atoms at indices [23, 19, 20, 28, 22, 1, 26, 12, 31, 13, 0, 10, 9, 25, 8, 5, 6, 3, 4, 18, 21, 2, 14, 11, 7, 27] by [ 2.592 -0.579 0.598] 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 | fb95ed24-6570-4944-9d3f-d450a75f0a1d | mp-1220650 | Move atoms at indices [31, 34, 9, 12, 5, 32, 30, 14] by [-0.077 -3.237 0.716] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb4B20Mo11
_chemical_formula_sum "Nb4 B20 Mo11"
_cell_length_a 3.10222374
_cell_length_b 3.20556237
_cell_length_c 35.07391058
_cell_angle_alpha 92.61917236
_cell_angle_beta 92.53468053
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Nb4B20Mo11
_chemical_formula_sum "Nb4 B20 Mo11"
_cell_length_a 3.10222374
_cell_length_b 3.20556237
_cell_length_c 35.07391058
_cell_angle_alpha 92.61917236
_cell_angle_beta 92.53468053
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveSelectedAtomsAction | 60180b5d-3542-4e62-9d36-b0a0cc2d4823 | mp-1028096 | Move atoms at indices [2, 8, 15, 13, 1, 7, 6, 4, 9] by [ 3.38 -0.27 -0.349] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14MnSi
_chemical_formula_sum "Mg14 Mn1 Si1"
_cell_length_a 6.20733672
_cell_length_b 6.20733624
_cell_length_c 10.20989807
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000254
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Mg14MnSi
_chemical_formula_sum "Mg14 Mn1 Si1"
_cell_length_a 6.20733672
_cell_length_b 6.20733624
_cell_length_c 10.20989807
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000254
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | f85e7acb-6aa5-41cd-b2d5-686e9e3a6844 | mp-27041 | Move atoms at indices [9, 0, 3, 12, 8, 4, 10] by [ 1.881 0.658 -2.685] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Cr2P2O8
_chemical_formula_sum "Li2 Cr2 P2 O8"
_cell_length_a 7.39277275
_cell_length_b 6.28365082
_cell_length_c 5.58373517
_cell_angle_alpha 76.81230335
_cell_angle_beta 55.84855332
_cell_angle_gamma 47.33914332999999
_space_gr... | data_image0
_chemical_formula_structural Li2Cr2P2O8
_chemical_formula_sum "Li2 Cr2 P2 O8"
_cell_length_a 7.39277275
_cell_length_b 6.28365082
_cell_length_c 5.58373517
_cell_angle_alpha 76.81230335
_cell_angle_beta 55.84855332
_cell_angle_gamma 47.33914332999999
_space_gr... |
MoveSelectedAtomsAction | e29daedb-ddd5-48ee-a368-c5a4cc60d105 | mp-753731 | Move atoms at indices [1, 9, 2, 7, 4, 12, 13, 8, 16, 0, 3, 10, 6, 14, 17, 11, 5, 15] by [-0.793 3.087 0.835] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Ca2I12
_chemical_formula_sum "Ba4 Ca2 I12"
_cell_length_a 7.898283
_cell_length_b 7.898283
_cell_length_c 15.327723
_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 Ba4Ca2I12
_chemical_formula_sum "Ba4 Ca2 I12"
_cell_length_a 7.898283
_cell_length_b 7.898283
_cell_length_c 15.327723
_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 | 8cc6faa2-fe7b-4cad-9042-bc2b4ffcad80 | mp-17728 | Move atoms at indices [2, 10, 8, 4] by [5.088 2.351 0.674] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta12Ge4
_chemical_formula_sum "Ta12 Ge4"
_cell_length_a 5.16276376
_cell_length_b 7.76695316
_cell_length_c 7.766400059999999
_cell_angle_alpha 83.6458981
_cell_angle_beta 70.5954467
_cell_angle_gamma 70.59385505
_space_group_name_... | data_image0
_chemical_formula_structural Ta12Ge4
_chemical_formula_sum "Ta12 Ge4"
_cell_length_a 5.16276376
_cell_length_b 7.76695316
_cell_length_c 7.766400059999999
_cell_angle_alpha 83.6458981
_cell_angle_beta 70.5954467
_cell_angle_gamma 70.59385505
_space_group_name_... |
MoveSelectedAtomsAction | c2cd3f3d-f7a7-4a38-8be0-a7241fad5bc7 | mp-753829 | Move atoms at indices [5, 9, 4, 1] by [-3.069 -2.183 -0.581] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr4O6
_chemical_formula_sum "Cr4 O6"
_cell_length_a 5.05742377
_cell_length_b 5.52757376
_cell_length_c 5.05742872
_cell_angle_alpha 117.22418826999998
_cell_angle_beta 60.000020160000005
_cell_angle_gamma 117.22412718999999
_space... | data_image0
_chemical_formula_structural Cr4O6
_chemical_formula_sum "Cr4 O6"
_cell_length_a 5.05742377
_cell_length_b 5.52757376
_cell_length_c 5.05742872
_cell_angle_alpha 117.22418826999998
_cell_angle_beta 60.000020160000005
_cell_angle_gamma 117.22412718999999
_space... |
MoveSelectedAtomsAction | d306bc5c-75b1-493f-8bb1-60411b53c8ac | mp-615141 | Move atoms at indices [9, 12, 8] by [-0.834 0.893 2.365] angstrom in the cif file. | data_image0
_chemical_formula_structural Pb2Cl4O8
_chemical_formula_sum "Pb2 Cl4 O8"
_cell_length_a 7.15446275
_cell_length_b 7.1544627499999995
_cell_length_c 6.113388
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 129.35804315
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Pb2Cl4O8
_chemical_formula_sum "Pb2 Cl4 O8"
_cell_length_a 7.15446275
_cell_length_b 7.1544627499999995
_cell_length_c 6.113388
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 129.35804315
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | d55caf01-3091-4ce2-84c0-f78ef71c1dc4 | mp-559248 | Move atoms at indices [58, 53, 6, 69, 28, 18, 16, 61, 41, 72, 3, 54, 52, 71, 57] by [-0.776 -4.035 1.866] angstrom in the cif file. | data_image0
_chemical_formula_structural V4H40N8O8F16
_chemical_formula_sum "V4 H40 N8 O8 F16"
_cell_length_a 9.807839
_cell_length_b 7.079551
_cell_length_c 10.31354053
_cell_angle_alpha 78.36193377
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural V4H40N8O8F16
_chemical_formula_sum "V4 H40 N8 O8 F16"
_cell_length_a 9.807839
_cell_length_b 7.079551
_cell_length_c 10.31354053
_cell_angle_alpha 78.36193377
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | f0308326-c801-4429-826e-5ebd937d2776 | mp-1221196 | Move atoms at indices [5, 1, 6, 8, 0, 12, 9] by [-1.862 1.614 0.634] angstrom in the cif file. | data_image0
_chemical_formula_structural Na4EuSi2Te6
_chemical_formula_sum "Na4 Eu1 Si2 Te6"
_cell_length_a 7.72061593
_cell_length_b 7.72061593
_cell_length_c 8.51669282
_cell_angle_alpha 81.26596297
_cell_angle_beta 81.26596297
_cell_angle_gamma 119.89827411
_space_grou... | data_image0
_chemical_formula_structural Na4EuSi2Te6
_chemical_formula_sum "Na4 Eu1 Si2 Te6"
_cell_length_a 7.72061593
_cell_length_b 7.72061593
_cell_length_c 8.51669282
_cell_angle_alpha 81.26596297
_cell_angle_beta 81.26596297
_cell_angle_gamma 119.89827411
_space_grou... |
MoveSelectedAtomsAction | 64ee493b-8562-4cb3-b4f5-c71680575eab | mp-1032871 | Move atoms at indices [5, 0, 4, 7, 12, 1, 10, 6, 8, 2, 13, 15, 11, 9, 14] by [ 0.246 -4.56 0.244] angstrom in the cif file. | data_image0
_chemical_formula_structural HfMg6AlO8
_chemical_formula_sum "Hf1 Mg6 Al1 O8"
_cell_length_a 8.96578721
_cell_length_b 4.34838229
_cell_length_c 4.34838229
_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 HfMg6AlO8
_chemical_formula_sum "Hf1 Mg6 Al1 O8"
_cell_length_a 8.96578721
_cell_length_b 4.34838229
_cell_length_c 4.34838229
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveSelectedAtomsAction | 78c78f3a-a143-4547-9a9c-8eecd2b82157 | mp-1225071 | Move atoms at indices [0, 4, 5, 1, 3] by [-0.998 -2.105 0.963] angstrom in the cif file. | data_image0
_chemical_formula_structural ErAl6Cu6
_chemical_formula_sum "Er1 Al6 Cu6"
_cell_length_a 4.97331248
_cell_length_b 6.563630650000001
_cell_length_c 6.5636306499999995
_cell_angle_alpha 99.08310517
_cell_angle_beta 112.26270552
_cell_angle_gamma 67.73729448
_sp... | data_image0
_chemical_formula_structural ErAl6Cu6
_chemical_formula_sum "Er1 Al6 Cu6"
_cell_length_a 4.97331248
_cell_length_b 6.563630650000001
_cell_length_c 6.5636306499999995
_cell_angle_alpha 99.08310517
_cell_angle_beta 112.26270552
_cell_angle_gamma 67.73729448
_sp... |
MoveSelectedAtomsAction | 2680da6e-f9b6-4659-a142-707be272e504 | mp-1644899 | Move atoms at indices [28, 21, 2, 1, 23, 40, 29, 12, 33, 3, 31, 32, 13, 37, 7, 38, 15] by [ 1.499 -0.698 2.551] angstrom in the cif file. | data_image0
_chemical_formula_structural Li6V4C8O24
_chemical_formula_sum "Li6 V4 C8 O24"
_cell_length_a 7.66037472
_cell_length_b 7.65804484
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_angle_beta 106.37065208
_cell_angle_gamma 72.72422425
_space_group_n... | data_image0
_chemical_formula_structural Li6V4C8O24
_chemical_formula_sum "Li6 V4 C8 O24"
_cell_length_a 7.66037472
_cell_length_b 7.65804484
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_angle_beta 106.37065208
_cell_angle_gamma 72.72422425
_space_group_n... |
MoveSelectedAtomsAction | 763ad208-7791-43fe-b4a0-7e0b042198a0 | mp-1023480 | Move atoms at indices [11] by [-2.476 -3.808 1.549] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg12Al2Ni2
_chemical_formula_sum "Mg12 Al2 Ni2"
_cell_length_a 4.859032
_cell_length_b 6.040872
_cell_length_c 10.46779
_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 Mg12Al2Ni2
_chemical_formula_sum "Mg12 Al2 Ni2"
_cell_length_a 4.859032
_cell_length_b 6.040872
_cell_length_c 10.46779
_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 | 85104fee-bdf4-439c-8134-aeebc4b0c577 | mp-778508 | Move atoms at indices [61, 4, 27, 30] by [ 3.593 0.701 -0.655] angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Mn4V4P12O48
_chemical_formula_sum "Li12 Mn4 V4 P12 O48"
_cell_length_a 9.831781
_cell_length_b 9.87281945
_cell_length_c 9.92081065
_cell_angle_alpha 85.77918818999999
_cell_angle_beta 87.70494136999999
_cell_angle_gamma 87.5770... | data_image0
_chemical_formula_structural Li12Mn4V4P12O48
_chemical_formula_sum "Li12 Mn4 V4 P12 O48"
_cell_length_a 9.831781
_cell_length_b 9.87281945
_cell_length_c 9.92081065
_cell_angle_alpha 85.77918818999999
_cell_angle_beta 87.70494136999999
_cell_angle_gamma 87.5770... |
MoveSelectedAtomsAction | 9249bd48-1583-4e85-af9a-76fd5e554aff | mp-779444 | Move atoms at indices [16, 1, 5, 0, 2, 3, 6, 11, 20, 22, 13, 15, 18, 17, 4, 21, 19, 14] by [ 2.579 0.943 -0.594] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn2Fe2B4O12
_chemical_formula_sum "Li4 Mn2 Fe2 B4 O12"
_cell_length_a 5.23969178
_cell_length_b 8.20273029
_cell_length_c 5.99169676
_cell_angle_alpha 77.13265952
_cell_angle_beta 89.0143268
_cell_angle_gamma 90.75553767
_space_... | data_image0
_chemical_formula_structural Li4Mn2Fe2B4O12
_chemical_formula_sum "Li4 Mn2 Fe2 B4 O12"
_cell_length_a 5.23969178
_cell_length_b 8.20273029
_cell_length_c 5.99169676
_cell_angle_alpha 77.13265952
_cell_angle_beta 89.0143268
_cell_angle_gamma 90.75553767
_space_... |
MoveSelectedAtomsAction | 7cca997b-1f20-4309-b8b8-ce5749437efd | mp-777904 | Move atoms at indices [6, 26, 9, 11, 18, 19, 21, 1, 24, 13, 17, 2, 25, 23, 5, 7, 14, 8, 3, 12] by [-0.382 -1.24 1.253] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Ti6Cr2O16
_chemical_formula_sum "Li4 Ti6 Cr2 O16"
_cell_length_a 5.89554411
_cell_length_b 5.8955441099999994
_cell_length_c 9.646889
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000123
_space_group_name_... | data_image0
_chemical_formula_structural Li4Ti6Cr2O16
_chemical_formula_sum "Li4 Ti6 Cr2 O16"
_cell_length_a 5.89554411
_cell_length_b 5.8955441099999994
_cell_length_c 9.646889
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000123
_space_group_name_... |
MoveSelectedAtomsAction | 53726e1e-9a4c-47e7-b06a-f246e4907427 | mp-1020592 | Move atoms at indices [6, 1, 35, 14, 17, 28, 32, 18, 19, 24, 23, 26, 16, 9, 22, 3, 33, 10, 15, 4, 30, 8, 7, 12, 29, 20, 13, 37, 34, 25, 21, 31] by [ 5.091 -3.812 -2.81 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr8Li4Si8N16O2
_chemical_formula_sum "Sr8 Li4 Si8 N16 O2"
_cell_length_a 9.374073
_cell_length_b 9.374073
_cell_length_c 5.608788
_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 Sr8Li4Si8N16O2
_chemical_formula_sum "Sr8 Li4 Si8 N16 O2"
_cell_length_a 9.374073
_cell_length_b 9.374073
_cell_length_c 5.608788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveSelectedAtomsAction | df6440d7-8c2c-4644-8361-85fdf67fe1e3 | mp-1386638 | Move atoms at indices [5, 15, 21, 0, 17, 23, 9, 20, 16] by [ 0.684 -0.929 -1.453] angstrom in the cif file. | data_image0
_chemical_formula_structural Na5Cu3P4O16
_chemical_formula_sum "Na5 Cu3 P4 O16"
_cell_length_a 5.153311
_cell_length_b 8.50180228
_cell_length_c 9.19285883
_cell_angle_alpha 116.13220197999999
_cell_angle_beta 89.51196592
_cell_angle_gamma 106.14481032
_space_... | data_image0
_chemical_formula_structural Na5Cu3P4O16
_chemical_formula_sum "Na5 Cu3 P4 O16"
_cell_length_a 5.153311
_cell_length_b 8.50180228
_cell_length_c 9.19285883
_cell_angle_alpha 116.13220197999999
_cell_angle_beta 89.51196592
_cell_angle_gamma 106.14481032
_space_... |
MoveSelectedAtomsAction | c26b16d5-6a2f-4add-bca3-39da81cf7de6 | mp-19489 | Move atoms at indices [24, 37] by [ 0.463 -0.986 0.87 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Sm4Co4B20O40
_chemical_formula_sum "Sm4 Co4 B20 O40"
_cell_length_a 7.654513
_cell_length_b 8.746298
_cell_length_c 9.469615910000002
_cell_angle_alpha 86.99432535
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sm4Co4B20O40
_chemical_formula_sum "Sm4 Co4 B20 O40"
_cell_length_a 7.654513
_cell_length_b 8.746298
_cell_length_c 9.469615910000002
_cell_angle_alpha 86.99432535
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveSelectedAtomsAction | bbe4ebb1-7bc2-4aec-9628-4a7b69bb6b37 | mp-6955 | Move atoms at indices [6, 8, 10, 4] by [-0.089 0.71 -0.412] angstrom in the cif file. | data_image0
_chemical_formula_structural K4Ge4N4O4
_chemical_formula_sum "K4 Ge4 N4 O4"
_cell_length_a 5.291175
_cell_length_b 5.81047
_cell_length_c 8.19225
_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 K4Ge4N4O4
_chemical_formula_sum "K4 Ge4 N4 O4"
_cell_length_a 5.291175
_cell_length_b 5.81047
_cell_length_c 8.19225
_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 | 89e0663d-91a8-4b48-b15c-323f7526eefa | mp-770361 | Move atoms at indices [22, 9, 1, 28] by [-4.265 -0.769 -2.671] 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 | bf38666b-02e0-4d40-a066-47ecd5b84d2c | mp-7998 | Move atoms at indices [11, 6, 1, 14, 5, 2, 7, 9, 12, 4, 10, 17, 3, 13, 16, 0, 15] by [-2.105 0.326 0.17 ] 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 | f236ef47-b067-4128-a39e-afb2aa2948f3 | mp-1190131 | Move atoms at indices [17, 2, 13, 12, 10, 15, 18, 16, 1, 6, 14, 5, 8, 0, 3, 9] by [-0.082 0.734 -1.246] angstrom in the cif file. | data_image0
_chemical_formula_structural La4Sc4S12
_chemical_formula_sum "La4 Sc4 S12"
_cell_length_a 6.58114518
_cell_length_b 7.21722551
_cell_length_c 9.64897414
_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 La4Sc4S12
_chemical_formula_sum "La4 Sc4 S12"
_cell_length_a 6.58114518
_cell_length_b 7.21722551
_cell_length_c 9.64897414
_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 | 5dcd6091-35d7-4794-892a-73380e2a8f7e | mp-1105068 | Move atoms at indices [0, 12, 4, 7, 1, 8, 2, 11, 6, 9, 3, 10, 5] by [-0.02 3.291 -3.368] angstrom in the cif file. | data_image0
_chemical_formula_structural BaYFe4O7
_chemical_formula_sum "Ba1 Y1 Fe4 O7"
_cell_length_a 6.47491245
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamma 87.49632515
_space_g... | data_image0
_chemical_formula_structural BaYFe4O7
_chemical_formula_sum "Ba1 Y1 Fe4 O7"
_cell_length_a 6.47491245
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamma 87.49632515
_space_g... |
MoveSelectedAtomsAction | 6cc8e4fa-9d1c-4b89-8445-5dd181010591 | mp-774789 | Move atoms at indices [32, 20, 50, 30, 48, 4, 18, 54, 39, 2, 37, 27, 43, 0, 33, 5, 42, 52, 7, 29] by [ 1.502 -1.343 -2.591] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Ti4Co6Sb6O32
_chemical_formula_sum "Li8 Ti4 Co6 Sb6 O32"
_cell_length_a 6.16117543
_cell_length_b 11.44884562
_cell_length_c 10.63779233
_cell_angle_alpha 117.31285160999998
_cell_angle_beta 90.30429701
_cell_angle_gamma 74.97335... | data_image0
_chemical_formula_structural Li8Ti4Co6Sb6O32
_chemical_formula_sum "Li8 Ti4 Co6 Sb6 O32"
_cell_length_a 6.16117543
_cell_length_b 11.44884562
_cell_length_c 10.63779233
_cell_angle_alpha 117.31285160999998
_cell_angle_beta 90.30429701
_cell_angle_gamma 74.97335... |
MoveSelectedAtomsAction | a5f87441-9fc8-43b1-9878-0672f61d2c35 | mp-23013 | Move atoms at indices [12, 7, 18] by [ 0.73 2.06 -0.616] angstrom in the cif file. | data_image0
_chemical_formula_structural U4Cl8O8
_chemical_formula_sum "U4 Cl8 O8"
_cell_length_a 5.76341914
_cell_length_b 8.44405204
_cell_length_c 8.73800116
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural U4Cl8O8
_chemical_formula_sum "U4 Cl8 O8"
_cell_length_a 5.76341914
_cell_length_b 8.44405204
_cell_length_c 8.73800116
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... |
MoveSelectedAtomsAction | 47e3ed02-e86e-4b0c-a0d0-74e609f975dd | mp-1220955 | Move atoms at indices [4, 1, 12, 0, 8, 14, 6, 5, 10, 13, 9, 7, 3, 2, 11] by [0.664 0.577 0.252] angstrom in the cif file. | data_image0
_chemical_formula_structural NaSr2Fe6As6
_chemical_formula_sum "Na1 Sr2 Fe6 As6"
_cell_length_a 5.51590271
_cell_length_b 6.51737211
_cell_length_c 8.85506829
_cell_angle_alpha 114.12208189
_cell_angle_beta 71.85308938
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural NaSr2Fe6As6
_chemical_formula_sum "Na1 Sr2 Fe6 As6"
_cell_length_a 5.51590271
_cell_length_b 6.51737211
_cell_length_c 8.85506829
_cell_angle_alpha 114.12208189
_cell_angle_beta 71.85308938
_cell_angle_gamma 90.0
_space_group_name_... |
MoveSelectedAtomsAction | 7167565f-db35-46b8-99b0-23a3924bc73c | mp-1110736 | Move atoms at indices [3, 2, 1] by [-2.215 1.288 0.377] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb3AlBr6
_chemical_formula_sum "Rb3 Al1 Br6"
_cell_length_a 8.15533404
_cell_length_b 8.15533404
_cell_length_c 8.15533404
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_... | data_image0
_chemical_formula_structural Rb3AlBr6
_chemical_formula_sum "Rb3 Al1 Br6"
_cell_length_a 8.15533404
_cell_length_b 8.15533404
_cell_length_c 8.15533404
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_... |
MoveSelectedAtomsAction | c4238381-afa5-4189-a020-a68c5dc4656c | mp-1360929 | Move atoms at indices [31, 27] by [-1.223 1.629 2.665] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg3Cr6Fe4O24
_chemical_formula_sum "Mg3 Cr6 Fe4 O24"
_cell_length_a 6.69328991
_cell_length_b 8.15055763
_cell_length_c 9.82946339
_cell_angle_alpha 104.80703253
_cell_angle_beta 105.89604363
_cell_angle_gamma 102.07778496
_space_g... | data_image0
_chemical_formula_structural Mg3Cr6Fe4O24
_chemical_formula_sum "Mg3 Cr6 Fe4 O24"
_cell_length_a 6.69328991
_cell_length_b 8.15055763
_cell_length_c 9.82946339
_cell_angle_alpha 104.80703253
_cell_angle_beta 105.89604363
_cell_angle_gamma 102.07778496
_space_g... |
MoveSelectedAtomsAction | 62b75f20-7d5b-44db-b521-8c4932e94b65 | mp-770481 | Move atoms at indices [5, 25, 31, 22, 19, 9, 8, 11, 15, 16, 2, 21, 0, 34, 12, 18, 6, 24, 23, 4, 1, 17, 33, 32, 29, 28, 27, 14, 13, 20, 26, 7, 3, 30, 10] by [ 1.769 -1.442 1.373] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta9PO25
_chemical_formula_sum "Ta9 P1 O25"
_cell_length_a 11.21513065
_cell_length_b 11.21512517
_cell_length_c 11.21509722
_cell_angle_alpha 91.67753232
_cell_angle_beta 91.67759269
_cell_angle_gamma 160.29681594
_space_group_name... | data_image0
_chemical_formula_structural Ta9PO25
_chemical_formula_sum "Ta9 P1 O25"
_cell_length_a 11.21513065
_cell_length_b 11.21512517
_cell_length_c 11.21509722
_cell_angle_alpha 91.67753232
_cell_angle_beta 91.67759269
_cell_angle_gamma 160.29681594
_space_group_name... |
MoveSelectedAtomsAction | e1ec0bc5-3f3f-4c7c-acbe-09a2adc6e5b9 | mp-1193081 | Move atoms at indices [14, 4, 1, 5, 7, 9, 27, 2] by [ 0.661 -0.729 -0.156] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs12Cr4O14
_chemical_formula_sum "Cs12 Cr4 O14"
_cell_length_a 7.2455194
_cell_length_b 9.81900027
_cell_length_c 9.892262060000002
_cell_angle_alpha 89.99825766
_cell_angle_beta 90.89857344999999
_cell_angle_gamma 90.00020682000002... | data_image0
_chemical_formula_structural Cs12Cr4O14
_chemical_formula_sum "Cs12 Cr4 O14"
_cell_length_a 7.2455194
_cell_length_b 9.81900027
_cell_length_c 9.892262060000002
_cell_angle_alpha 89.99825766
_cell_angle_beta 90.89857344999999
_cell_angle_gamma 90.00020682000002... |
MoveSelectedAtomsAction | c6d64ec7-7436-4ee8-815e-773c645b075d | mp-13514 | Move atoms at indices [3, 8, 17, 14, 13, 5, 1, 10, 15, 2, 19, 0] by [-0.175 2.59 -1.423] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd4B4O12
_chemical_formula_sum "Nd4 B4 O12"
_cell_length_a 6.29114009
_cell_length_b 6.5846141
_cell_length_c 6.572748450000001
_cell_angle_alpha 93.73771251
_cell_angle_beta 108.44664408
_cell_angle_gamma 108.27378549999999
_space... | data_image0
_chemical_formula_structural Nd4B4O12
_chemical_formula_sum "Nd4 B4 O12"
_cell_length_a 6.29114009
_cell_length_b 6.5846141
_cell_length_c 6.572748450000001
_cell_angle_alpha 93.73771251
_cell_angle_beta 108.44664408
_cell_angle_gamma 108.27378549999999
_space... |
MoveSelectedAtomsAction | 70fef327-d9a1-44fd-ae9a-579802318e57 | mp-17256 | Move atoms at indices [17, 33, 26, 20, 12, 21, 18, 13, 9, 3, 7, 27, 10, 35, 6, 15, 23, 32, 28, 4, 19, 14] by [-0.056 0.899 -2.018] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb4Hf6O2F24
_chemical_formula_sum "Rb4 Hf6 O2 F24"
_cell_length_a 10.8372027
_cell_length_b 10.837202699999999
_cell_length_c 10.83720311
_cell_angle_alpha 41.33193428
_cell_angle_beta 41.33193428
_cell_angle_gamma 41.33193677000000... | data_image0
_chemical_formula_structural Rb4Hf6O2F24
_chemical_formula_sum "Rb4 Hf6 O2 F24"
_cell_length_a 10.8372027
_cell_length_b 10.837202699999999
_cell_length_c 10.83720311
_cell_angle_alpha 41.33193428
_cell_angle_beta 41.33193428
_cell_angle_gamma 41.33193677000000... |
MoveSelectedAtomsAction | 00734043-f1d8-4814-b64b-b4dd3ce8a738 | mp-1221954 | Move atoms at indices [3, 9, 5, 7, 0, 2, 6, 1] by [-2.603 2.282 -0.982] angstrom in the cif file. | data_image0
_chemical_formula_structural MgTi2ZnO6
_chemical_formula_sum "Mg1 Ti2 Zn1 O6"
_cell_length_a 5.53855859
_cell_length_b 5.53855859
_cell_length_c 5.538558959999999
_cell_angle_alpha 54.98787810999999
_cell_angle_beta 54.987878110000004
_cell_angle_gamma 54.98787... | data_image0
_chemical_formula_structural MgTi2ZnO6
_chemical_formula_sum "Mg1 Ti2 Zn1 O6"
_cell_length_a 5.53855859
_cell_length_b 5.53855859
_cell_length_c 5.538558959999999
_cell_angle_alpha 54.98787810999999
_cell_angle_beta 54.987878110000004
_cell_angle_gamma 54.98787... |
MoveSelectedAtomsAction | 346a2b63-5ff0-4960-8273-cb2b93cb14ae | mp-1181584 | Move atoms at indices [16, 34, 33, 37, 3, 17, 29, 31, 1, 35, 27, 15, 6, 40, 10, 38, 23, 39, 36, 32, 18, 9, 11, 30] by [ 2.284 -1.56 -2.124] angstrom in the cif file. | data_image0
_chemical_formula_structural H16C4N16O8
_chemical_formula_sum "H16 C4 N16 O8"
_cell_length_a 15.64905994
_cell_length_b 12.69497605
_cell_length_c 9.453627849999998
_cell_angle_alpha 88.65347747000001
_cell_angle_beta 54.19426781999998
_cell_angle_gamma 37.1522... | data_image0
_chemical_formula_structural H16C4N16O8
_chemical_formula_sum "H16 C4 N16 O8"
_cell_length_a 15.64905994
_cell_length_b 12.69497605
_cell_length_c 9.453627849999998
_cell_angle_alpha 88.65347747000001
_cell_angle_beta 54.19426781999998
_cell_angle_gamma 37.1522... |
MoveSelectedAtomsAction | aa17c33e-f015-42d6-8256-a65725597cf6 | mp-1193732 | Move atoms at indices [19, 14, 20] by [ 1.448 -0.271 -1.141] angstrom in the cif file. | data_image0
_chemical_formula_structural Te4Pd2Pb4Cl4O12
_chemical_formula_sum "Te4 Pd2 Pb4 Cl4 O12"
_cell_length_a 5.554361
_cell_length_b 8.317594
_cell_length_c 13.30471562
_cell_angle_alpha 56.04954906
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Te4Pd2Pb4Cl4O12
_chemical_formula_sum "Te4 Pd2 Pb4 Cl4 O12"
_cell_length_a 5.554361
_cell_length_b 8.317594
_cell_length_c 13.30471562
_cell_angle_alpha 56.04954906
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
MoveSelectedAtomsAction | b5790841-ab61-47da-a0b8-041f3c85cb61 | mp-29829 | Move atoms at indices [1, 5, 4, 0, 10, 11, 2, 9, 7, 6, 3] by [-3.276 0.056 0.735] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Au4S4
_chemical_formula_sum "Li4 Au4 S4"
_cell_length_a 6.36289158
_cell_length_b 6.36289199
_cell_length_c 7.21163204
_cell_angle_alpha 116.47822777999998
_cell_angle_beta 116.47822393999999
_cell_angle_gamma 89.38917855000001
... | data_image0
_chemical_formula_structural Li4Au4S4
_chemical_formula_sum "Li4 Au4 S4"
_cell_length_a 6.36289158
_cell_length_b 6.36289199
_cell_length_c 7.21163204
_cell_angle_alpha 116.47822777999998
_cell_angle_beta 116.47822393999999
_cell_angle_gamma 89.38917855000001
... |
MoveSelectedAtomsAction | b0fb174d-3d1f-4788-90e9-4ca959a26b3c | mp-1031226 | Move atoms at indices [13, 11, 15, 6, 1, 12, 9, 7, 10, 3, 0, 4] by [-2.899 0.737 0.686] angstrom in the cif file. | data_image0
_chemical_formula_structural RbMg6TiO8
_chemical_formula_sum "Rb1 Mg6 Ti1 O8"
_cell_length_a 8.65829641
_cell_length_b 4.61044527
_cell_length_c 4.61044527
_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 RbMg6TiO8
_chemical_formula_sum "Rb1 Mg6 Ti1 O8"
_cell_length_a 8.65829641
_cell_length_b 4.61044527
_cell_length_c 4.61044527
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveSelectedAtomsAction | 4051fe01-c280-422f-aaa5-2344aa2ba5c5 | mp-29226 | Move atoms at indices [41, 23, 43, 32, 21, 35, 15, 18, 25, 0, 30, 9, 1, 12, 24, 26, 17, 40, 7] by [-1.509 -1.407 1.617] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca9Ga12O27
_chemical_formula_sum "Ca9 Ga12 O27"
_cell_length_a 11.05868684
_cell_length_b 11.058686840000002
_cell_length_c 5.32453866
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 98.92564392000001
_space_group_na... | data_image0
_chemical_formula_structural Ca9Ga12O27
_chemical_formula_sum "Ca9 Ga12 O27"
_cell_length_a 11.05868684
_cell_length_b 11.058686840000002
_cell_length_c 5.32453866
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 98.92564392000001
_space_group_na... |
MoveSelectedAtomsAction | e1265dea-2795-4242-9a15-d23cffe7a644 | mp-531661 | Move atoms at indices [35, 16, 27] by [ 1.298 -0.031 -1.334] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd10Ti12O39
_chemical_formula_sum "Nd10 Ti12 O39"
_cell_length_a 7.273009
_cell_length_b 10.2912685
_cell_length_c 12.53064596
_cell_angle_alpha 113.59612546
_cell_angle_beta 106.80972901999999
_cell_angle_gamma 88.92613835
_space_... | data_image0
_chemical_formula_structural Nd10Ti12O39
_chemical_formula_sum "Nd10 Ti12 O39"
_cell_length_a 7.273009
_cell_length_b 10.2912685
_cell_length_c 12.53064596
_cell_angle_alpha 113.59612546
_cell_angle_beta 106.80972901999999
_cell_angle_gamma 88.92613835
_space_... |
MoveSelectedAtomsAction | e971a5f5-c902-4ac3-9221-95bd26653095 | mp-27330 | Move atoms at indices [9, 7, 13, 0, 11, 2, 5, 8, 3, 12, 14, 1, 4, 6, 10] by [0.552 1.416 2.316] angstrom in the cif file. | data_image0
_chemical_formula_structural La3Os2O10
_chemical_formula_sum "La3 Os2 O10"
_cell_length_a 5.62184173
_cell_length_b 5.62184182
_cell_length_c 6.940714679999999
_cell_angle_alpha 107.87126291
_cell_angle_beta 107.8712631
_cell_angle_gamma 90.60547313999999
_spa... | data_image0
_chemical_formula_structural La3Os2O10
_chemical_formula_sum "La3 Os2 O10"
_cell_length_a 5.62184173
_cell_length_b 5.62184182
_cell_length_c 6.940714679999999
_cell_angle_alpha 107.87126291
_cell_angle_beta 107.8712631
_cell_angle_gamma 90.60547313999999
_spa... |
MoveSelectedAtomsAction | 844377c6-3fdd-4b9a-ba96-d9d171448b15 | mp-685992 | Move atoms at indices [19, 13] by [-0.915 0.103 -2.5 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Cr4Cl16
_chemical_formula_sum "Li8 Cr4 Cl16"
_cell_length_a 7.228764
_cell_length_b 7.42284197
_cell_length_c 12.83742393
_cell_angle_alpha 78.00485524
_cell_angle_beta 74.78317196
_cell_angle_gamma 62.50011299999999
_space_grou... | data_image0
_chemical_formula_structural Li8Cr4Cl16
_chemical_formula_sum "Li8 Cr4 Cl16"
_cell_length_a 7.228764
_cell_length_b 7.42284197
_cell_length_c 12.83742393
_cell_angle_alpha 78.00485524
_cell_angle_beta 74.78317196
_cell_angle_gamma 62.50011299999999
_space_grou... |
MoveSelectedAtomsAction | dfabdf53-187e-42a1-b63c-8073146954bc | mp-1198379 | Move atoms at indices [33, 16, 49, 1] by [-4.812 0.128 -3.772] angstrom in the cif file. | data_image0
_chemical_formula_structural U8Cl8O40
_chemical_formula_sum "U8 Cl8 O40"
_cell_length_a 5.916021
_cell_length_b 11.02909539
_cell_length_c 19.22433123
_cell_angle_alpha 103.30643445999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural U8Cl8O40
_chemical_formula_sum "U8 Cl8 O40"
_cell_length_a 5.916021
_cell_length_b 11.02909539
_cell_length_c 19.22433123
_cell_angle_alpha 103.30643445999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 90a221ca-018b-480f-8f80-867b9f0b1df0 | mp-779456 | Move atoms at indices [27, 3, 16, 8, 11] by [ 1.207 -4.865 1.456] angstrom in the cif file. | data_image0
_chemical_formula_structural Y8Re4O20
_chemical_formula_sum "Y8 Re4 O20"
_cell_length_a 8.49838607
_cell_length_b 8.49838607
_cell_length_c 5.6294274
_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 Y8Re4O20
_chemical_formula_sum "Y8 Re4 O20"
_cell_length_a 8.49838607
_cell_length_b 8.49838607
_cell_length_c 5.6294274
_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 | b5e2e070-7938-4535-bde1-d6888f63963b | mp-29057 | Move atoms at indices [9, 4, 1, 10, 2, 3, 6, 0, 7] by [1.075 1.093 0.787] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb3SBr7
_chemical_formula_sum "Nb3 S1 Br7"
_cell_length_a 7.17997263
_cell_length_b 7.17997254
_cell_length_c 6.54616994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000034999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nb3SBr7
_chemical_formula_sum "Nb3 S1 Br7"
_cell_length_a 7.17997263
_cell_length_b 7.17997254
_cell_length_c 6.54616994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000034999998
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 01e6cb45-d7bd-4166-8e1d-46a4cee4cfde | mp-2503 | Move atoms at indices [2, 17, 18, 21, 15, 13, 14, 7, 0, 4, 12, 6, 16, 9, 20] by [-1.44 1.193 3.846] angstrom in the cif file. | data_image0
_chemical_formula_structural Pd14Se8
_chemical_formula_sum "Pd14 Se8"
_cell_length_a 5.30869759
_cell_length_b 7.03737506
_cell_length_c 10.36598178
_cell_angle_alpha 90.00116383
_cell_angle_beta 89.99922099
_cell_angle_gamma 89.99989283
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Pd14Se8
_chemical_formula_sum "Pd14 Se8"
_cell_length_a 5.30869759
_cell_length_b 7.03737506
_cell_length_c 10.36598178
_cell_angle_alpha 90.00116383
_cell_angle_beta 89.99922099
_cell_angle_gamma 89.99989283
_space_group_name_H-M_... |
MoveSelectedAtomsAction | 02dc8052-d9a0-4224-a0a0-1f4aca58a058 | mp-1343823 | Move atoms at indices [4, 2, 19, 6] by [-3.439 -0.688 0.334] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Ta2Sb2O12
_chemical_formula_sum "Ca4 Ta2 Sb2 O12"
_cell_length_a 8.036065
_cell_length_b 5.719254
_cell_length_c 5.9235469
_cell_angle_alpha 89.03685924
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ca4Ta2Sb2O12
_chemical_formula_sum "Ca4 Ta2 Sb2 O12"
_cell_length_a 8.036065
_cell_length_b 5.719254
_cell_length_c 5.9235469
_cell_angle_alpha 89.03685924
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | 328712bf-3561-4f13-97ce-a8121bec2aab | mp-1191448 | Move atoms at indices [19, 1, 6, 2, 0, 8, 14, 3, 18, 13, 10, 5, 9, 21, 17, 12, 11, 15, 16, 20, 7, 4] by [-0.603 1.027 1.482] angstrom in the cif file. | data_image0
_chemical_formula_structural Co2I4O16
_chemical_formula_sum "Co2 I4 O16"
_cell_length_a 4.66295458
_cell_length_b 6.6695645
_cell_length_c 10.05738111
_cell_angle_alpha 95.95701042
_cell_angle_beta 91.16647125
_cell_angle_gamma 89.43641549
_space_group_name_H-... | data_image0
_chemical_formula_structural Co2I4O16
_chemical_formula_sum "Co2 I4 O16"
_cell_length_a 4.66295458
_cell_length_b 6.6695645
_cell_length_c 10.05738111
_cell_angle_alpha 95.95701042
_cell_angle_beta 91.16647125
_cell_angle_gamma 89.43641549
_space_group_name_H-... |
MoveSelectedAtomsAction | dd1648df-b50a-4a1d-bb83-24a9846e267d | mp-1225420 | Move atoms at indices [6, 11, 9, 7, 1, 2, 0, 10, 13, 5, 12] by [ 1.543 -2.189 0.328] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe3W4N8
_chemical_formula_sum "Fe3 W4 N8"
_cell_length_a 10.79563324
_cell_length_b 10.79563324
_cell_length_c 4.999819900000001
_cell_angle_alpha 78.12233291
_cell_angle_beta 78.12233291
_cell_angle_gamma 15.285989940000006
_space... | data_image0
_chemical_formula_structural Fe3W4N8
_chemical_formula_sum "Fe3 W4 N8"
_cell_length_a 10.79563324
_cell_length_b 10.79563324
_cell_length_c 4.999819900000001
_cell_angle_alpha 78.12233291
_cell_angle_beta 78.12233291
_cell_angle_gamma 15.285989940000006
_space... |
MoveSelectedAtomsAction | a12ff13b-ad38-4623-b21c-899990bdab8e | mp-1044670 | Move atoms at indices [10, 9, 5, 1, 6, 13, 12, 2, 4] by [-2.17 0.185 1.278] angstrom in the cif file. | data_image0
_chemical_formula_structural Zn2Ag4O8
_chemical_formula_sum "Zn2 Ag4 O8"
_cell_length_a 6.30584419
_cell_length_b 6.30584419
_cell_length_c 6.30584436
_cell_angle_alpha 61.36555054000001
_cell_angle_beta 61.36555054000001
_cell_angle_gamma 61.36555237
_space_g... | data_image0
_chemical_formula_structural Zn2Ag4O8
_chemical_formula_sum "Zn2 Ag4 O8"
_cell_length_a 6.30584419
_cell_length_b 6.30584419
_cell_length_c 6.30584436
_cell_angle_alpha 61.36555054000001
_cell_angle_beta 61.36555054000001
_cell_angle_gamma 61.36555237
_space_g... |
MoveSelectedAtomsAction | 992697a5-fb79-4624-ac2d-1c9e9aa72aae | mp-1110571 | Move atoms at indices [7, 2, 1, 6, 9, 0, 5] by [-0.279 -2.107 2.094] angstrom in the cif file. | data_image0
_chemical_formula_structural Na3CrF6
_chemical_formula_sum "Na3 Cr1 F6"
_cell_length_a 5.79972
_cell_length_b 5.79972013
_cell_length_c 5.79972038
_cell_angle_alpha 60.00000193
_cell_angle_beta 60.00000217
_cell_angle_gamma 60.00000072000001
_space_group_name_... | data_image0
_chemical_formula_structural Na3CrF6
_chemical_formula_sum "Na3 Cr1 F6"
_cell_length_a 5.79972
_cell_length_b 5.79972013
_cell_length_c 5.79972038
_cell_angle_alpha 60.00000193
_cell_angle_beta 60.00000217
_cell_angle_gamma 60.00000072000001
_space_group_name_... |
MoveSelectedAtomsAction | ec1233b2-0c76-4d6d-b90e-4181ece3b6fd | mp-558102 | Move atoms at indices [8, 6, 9, 16, 1, 2, 13, 4, 3, 0, 17, 12, 14, 15, 7, 11] by [-2.124 0.451 -0.23 ] angstrom in the cif file. | data_image0
_chemical_formula_structural K2Li2Si4O10
_chemical_formula_sum "K2 Li2 Si4 O10"
_cell_length_a 4.874509
_cell_length_b 6.0847
_cell_length_c 8.30369295
_cell_angle_alpha 86.56193316
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural K2Li2Si4O10
_chemical_formula_sum "K2 Li2 Si4 O10"
_cell_length_a 4.874509
_cell_length_b 6.0847
_cell_length_c 8.30369295
_cell_angle_alpha 86.56193316
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveSelectedAtomsAction | 5a4f841d-f487-42ee-af64-c3d0c0f5fbdc | mp-1219949 | Move atoms at indices [17, 11, 12, 4, 1] by [-0.751 3.951 2.442] 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 | 430a59d5-7d3f-4e6d-b513-b7756adf0436 | mp-1201394 | Move atoms at indices [38, 50, 40, 7, 52, 44, 26, 37, 11, 6, 59, 34, 22, 58, 24, 56, 12, 46, 30, 29, 31, 51, 2, 25, 45, 54, 43, 23, 32, 8, 20, 10, 33, 19, 9, 13, 16, 55, 39, 21, 53, 35, 0, 27, 41] by [ 0.773 1.442 -1.055] angstrom in the cif file. | data_image0
_chemical_formula_structural K8Zn4H32N16
_chemical_formula_sum "K8 Zn4 H32 N16"
_cell_length_a 7.330377
_cell_length_b 7.71889881
_cell_length_c 13.45082991
_cell_angle_alpha 106.05557938
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K8Zn4H32N16
_chemical_formula_sum "K8 Zn4 H32 N16"
_cell_length_a 7.330377
_cell_length_b 7.71889881
_cell_length_c 13.45082991
_cell_angle_alpha 106.05557938
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 36b7b1b2-fb2e-425c-9a1c-e32ab1dbfee6 | mp-18953 | Move atoms at indices [10, 2, 5, 3, 8, 1] by [ 0.186 0.908 -1.17 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2V2O4F4
_chemical_formula_sum "Na2 V2 O4 F4"
_cell_length_a 3.575516
_cell_length_b 6.56286279
_cell_length_c 7.32158901
_cell_angle_alpha 110.04631364
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Na2V2O4F4
_chemical_formula_sum "Na2 V2 O4 F4"
_cell_length_a 3.575516
_cell_length_b 6.56286279
_cell_length_c 7.32158901
_cell_angle_alpha 110.04631364
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveSelectedAtomsAction | fa7b493f-48de-4f33-b5a5-0d06318fae9f | mp-580525 | Move atoms at indices [34, 3, 41] by [0.512 0.071 2.208] angstrom in the cif file. | data_image0
_chemical_formula_structural Dy12Ni12Sn24
_chemical_formula_sum "Dy12 Ni12 Sn24"
_cell_length_a 4.441213
_cell_length_b 14.647266
_cell_length_c 16.15592
_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 Dy12Ni12Sn24
_chemical_formula_sum "Dy12 Ni12 Sn24"
_cell_length_a 4.441213
_cell_length_b 14.647266
_cell_length_c 16.15592
_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 | 3e414540-02a4-4dfb-9050-a0c6f61ad122 | mp-1105973 | Move atoms at indices [7, 11, 4, 10, 6, 0, 1, 14, 13, 12, 5, 9] by [0.124 0.98 0.55 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Sc4Ag4Se8
_chemical_formula_sum "Sc4 Ag4 Se8"
_cell_length_a 3.99573998
_cell_length_b 6.78147425
_cell_length_c 13.21755954
_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 Sc4Ag4Se8
_chemical_formula_sum "Sc4 Ag4 Se8"
_cell_length_a 3.99573998
_cell_length_b 6.78147425
_cell_length_c 13.21755954
_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 | fe06432b-1d9d-4aa0-b092-dbfece71c646 | mp-1228192 | Move atoms at indices [15, 4, 11, 8, 14, 12, 7, 13, 5, 6, 16] by [-0.619 2.246 -0.505] angstrom in the cif file. | data_image0
_chemical_formula_structural Al8Si4Mo6
_chemical_formula_sum "Al8 Si4 Mo6"
_cell_length_a 4.8039013
_cell_length_b 4.803901299999999
_cell_length_c 13.45947417
_cell_angle_alpha 84.87054598
_cell_angle_beta 84.87054598
_cell_angle_gamma 119.30885929
_space_gro... | data_image0
_chemical_formula_structural Al8Si4Mo6
_chemical_formula_sum "Al8 Si4 Mo6"
_cell_length_a 4.8039013
_cell_length_b 4.803901299999999
_cell_length_c 13.45947417
_cell_angle_alpha 84.87054598
_cell_angle_beta 84.87054598
_cell_angle_gamma 119.30885929
_space_gro... |
MoveSelectedAtomsAction | 2114169c-5324-448a-9055-c1844c05f9c1 | mp-774885 | Move atoms at indices [11, 24, 7, 14, 33, 28, 19, 35, 12, 30, 27] by [ 1.476 -0.039 -3.536] angstrom in the cif file. | data_image0
_chemical_formula_structural V3CrCo2P6O24
_chemical_formula_sum "V3 Cr1 Co2 P6 O24"
_cell_length_a 8.50726384
_cell_length_b 8.50726384
_cell_length_c 8.50726429
_cell_angle_alpha 60.766009279999984
_cell_angle_beta 60.766009279999984
_cell_angle_gamma 60.76600... | data_image0
_chemical_formula_structural V3CrCo2P6O24
_chemical_formula_sum "V3 Cr1 Co2 P6 O24"
_cell_length_a 8.50726384
_cell_length_b 8.50726384
_cell_length_c 8.50726429
_cell_angle_alpha 60.766009279999984
_cell_angle_beta 60.766009279999984
_cell_angle_gamma 60.76600... |
MoveSelectedAtomsAction | 9bc6ac88-5657-497f-9313-9714c79b2e87 | mp-787524 | Move atoms at indices [26, 10, 33, 28, 9, 7, 20, 6, 31, 36, 0, 14, 8] by [ 1.637 5.107 -1.263] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Fe2W6O24
_chemical_formula_sum "Li8 Fe2 W6 O24"
_cell_length_a 5.11933652
_cell_length_b 10.195318270000001
_cell_length_c 10.09545099
_cell_angle_alpha 60.32184485
_cell_angle_beta 90.65949022
_cell_angle_gamma 90.32099601
_spa... | data_image0
_chemical_formula_structural Li8Fe2W6O24
_chemical_formula_sum "Li8 Fe2 W6 O24"
_cell_length_a 5.11933652
_cell_length_b 10.195318270000001
_cell_length_c 10.09545099
_cell_angle_alpha 60.32184485
_cell_angle_beta 90.65949022
_cell_angle_gamma 90.32099601
_spa... |
MoveSelectedAtomsAction | 29fadd11-f8e6-4e3f-884b-4025cb61167e | mp-2217353 | Move atoms at indices [5, 9, 0, 3, 4, 2, 10, 6, 1, 8, 7] by [ 1.54 -0.085 0.478] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2MgBi2O6
_chemical_formula_sum "Ba2 Mg1 Bi2 O6"
_cell_length_a 6.19601964
_cell_length_b 6.19601946
_cell_length_c 7.51072299
_cell_angle_alpha 64.56155273
_cell_angle_beta 64.56155424
_cell_angle_gamma 61.34173851
_space_group_n... | data_image0
_chemical_formula_structural Ba2MgBi2O6
_chemical_formula_sum "Ba2 Mg1 Bi2 O6"
_cell_length_a 6.19601964
_cell_length_b 6.19601946
_cell_length_c 7.51072299
_cell_angle_alpha 64.56155273
_cell_angle_beta 64.56155424
_cell_angle_gamma 61.34173851
_space_group_n... |
MoveSelectedAtomsAction | f87d5de5-67ad-4c17-bbc0-2e5264c5466c | mp-1234726 | Move atoms at indices [3, 19, 16, 20, 13, 7, 1, 14, 12, 0, 22, 2, 6, 10, 24, 8] by [-1.984 1.218 0.473] angstrom in the cif file. | data_image0
_chemical_formula_structural MgFe8O8F8
_chemical_formula_sum "Mg1 Fe8 O8 F8"
_cell_length_a 5.37459148
_cell_length_b 5.317915359999999
_cell_length_c 11.582483039999998
_cell_angle_alpha 89.02297118
_cell_angle_beta 87.61815172
_cell_angle_gamma 93.09989270999... | data_image0
_chemical_formula_structural MgFe8O8F8
_chemical_formula_sum "Mg1 Fe8 O8 F8"
_cell_length_a 5.37459148
_cell_length_b 5.317915359999999
_cell_length_c 11.582483039999998
_cell_angle_alpha 89.02297118
_cell_angle_beta 87.61815172
_cell_angle_gamma 93.09989270999... |
MoveSelectedAtomsAction | b38601cf-7d11-4a04-b226-d2042c62053d | mp-18051 | Move atoms at indices [5, 19, 23, 25, 29, 4, 20, 22, 9, 21, 27, 6, 26, 13, 17] by [-2.393 2.062 0.485] angstrom in the cif file. | data_image0
_chemical_formula_structural La8Ti4O20
_chemical_formula_sum "La8 Ti4 O20"
_cell_length_a 3.92346982
_cell_length_b 11.01649247
_cell_length_c 11.44093194
_cell_angle_alpha 90.00169505
_cell_angle_beta 89.99997463
_cell_angle_gamma 89.99991578
_space_group_nam... | data_image0
_chemical_formula_structural La8Ti4O20
_chemical_formula_sum "La8 Ti4 O20"
_cell_length_a 3.92346982
_cell_length_b 11.01649247
_cell_length_c 11.44093194
_cell_angle_alpha 90.00169505
_cell_angle_beta 89.99997463
_cell_angle_gamma 89.99991578
_space_group_nam... |
MoveSelectedAtomsAction | 518d2bdf-b0a4-4662-94ae-b53d0e148481 | mp-1020027 | Move atoms at indices [37, 30, 14, 51, 4] by [ 0.631 -1.325 2.274] angstrom in the cif file. | data_image0
_chemical_formula_structural Li16P8O28
_chemical_formula_sum "Li16 P8 O28"
_cell_length_a 5.300503
_cell_length_b 8.596584
_cell_length_c 13.95281911
_cell_angle_alpha 67.84074955
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Li16P8O28
_chemical_formula_sum "Li16 P8 O28"
_cell_length_a 5.300503
_cell_length_b 8.596584
_cell_length_c 13.95281911
_cell_angle_alpha 67.84074955
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveSelectedAtomsAction | 9eb2804e-2a81-4839-a0f5-4164f1d19ee2 | mp-1214552 | Move atoms at indices [19, 43, 49, 36, 42, 26, 2, 14, 20, 47, 22, 44, 16, 23, 13, 50, 25, 39, 38, 12] by [-3.069 -3.756 1.473] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba8Cu6Si40
_chemical_formula_sum "Ba8 Cu6 Si40"
_cell_length_a 10.34362496
_cell_length_b 10.34362754
_cell_length_c 10.34364734
_cell_angle_alpha 89.99996754
_cell_angle_beta 89.99998226999999
_cell_angle_gamma 89.99998272000002
_... | data_image0
_chemical_formula_structural Ba8Cu6Si40
_chemical_formula_sum "Ba8 Cu6 Si40"
_cell_length_a 10.34362496
_cell_length_b 10.34362754
_cell_length_c 10.34364734
_cell_angle_alpha 89.99996754
_cell_angle_beta 89.99998226999999
_cell_angle_gamma 89.99998272000002
_... |
MoveSelectedAtomsAction | 92ab3216-2242-4c42-9703-3d17cf6c5a13 | mp-1191101 | Move atoms at indices [6, 20, 2, 12, 17, 19, 15, 4, 7, 18, 16, 9, 10, 5, 3, 23, 0, 11, 22, 21, 13, 14] by [-1.909 -0.323 -1.613] angstrom in the cif file. | data_image0
_chemical_formula_structural K4Mg4B4O12
_chemical_formula_sum "K4 Mg4 B4 O12"
_cell_length_a 6.908451
_cell_length_b 6.908451
_cell_length_c 6.908451
_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 K4Mg4B4O12
_chemical_formula_sum "K4 Mg4 B4 O12"
_cell_length_a 6.908451
_cell_length_b 6.908451
_cell_length_c 6.908451
_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 | 76de7ffd-ba87-4d4c-ad61-ecbfe092b1ca | mp-1210838 | Move atoms at indices [0, 19, 5, 16, 13, 26, 8, 17, 22, 27, 3, 6, 24, 20, 4, 11, 7, 18, 1] by [-2.059 0.105 -2.481] 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 | 1a69be41-0c14-4fb0-bdf0-0d2844bc415c | mp-1079648 | Move atoms at indices [5, 9, 2] by [2.493 1.079 4.813] angstrom in the cif file. | data_image0
_chemical_formula_structural U2Ge4Rh4
_chemical_formula_sum "U2 Ge4 Rh4"
_cell_length_a 4.204453
_cell_length_b 4.204453
_cell_length_c 10.180361
_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 U2Ge4Rh4
_chemical_formula_sum "U2 Ge4 Rh4"
_cell_length_a 4.204453
_cell_length_b 4.204453
_cell_length_c 10.180361
_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 | a7d455a9-2f47-4095-803c-de1cfa8cd305 | mp-1238837 | Move atoms at indices [2, 22, 16, 24, 3, 28, 21, 32, 47, 7, 26, 43, 30, 17, 44, 46, 0, 11, 42, 19, 8, 35, 39, 9, 18, 29, 5, 27, 20, 40, 15, 45, 33] by [-2.178 -0.556 -2.543] angstrom in the cif file. | data_image0
_chemical_formula_structural B24H24
_chemical_formula_sum "B24 H24"
_cell_length_a 7.11935317
_cell_length_b 7.11935317
_cell_length_c 10.82884391
_cell_angle_alpha 89.73188219
_cell_angle_beta 89.73188219
_cell_angle_gamma 117.91767792000002
_space_group_name... | data_image0
_chemical_formula_structural B24H24
_chemical_formula_sum "B24 H24"
_cell_length_a 7.11935317
_cell_length_b 7.11935317
_cell_length_c 10.82884391
_cell_angle_alpha 89.73188219
_cell_angle_beta 89.73188219
_cell_angle_gamma 117.91767792000002
_space_group_name... |
MoveSelectedAtomsAction | c569c4c4-4fec-4fa6-b6b4-8fd5d1bc566c | mp-1205925 | Move atoms at indices [2, 1, 0, 9, 7, 3, 4, 8] by [ 2.163 -4.798 -3.419] angstrom in the cif file. | data_image0
_chemical_formula_structural Sm4In2Au4
_chemical_formula_sum "Sm4 In2 Au4"
_cell_length_a 8.02911356
_cell_length_b 8.02911356
_cell_length_c 3.80318969
_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 Sm4In2Au4
_chemical_formula_sum "Sm4 In2 Au4"
_cell_length_a 8.02911356
_cell_length_b 8.02911356
_cell_length_c 3.80318969
_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 | bda3382d-ba91-48bb-9087-04db8514cf05 | mp-1110571 | Move atoms at indices [0] by [ 3.47 -0.954 0.257] angstrom in the cif file. | data_image0
_chemical_formula_structural Na3CrF6
_chemical_formula_sum "Na3 Cr1 F6"
_cell_length_a 5.79972
_cell_length_b 5.79972013
_cell_length_c 5.79972038
_cell_angle_alpha 60.00000193
_cell_angle_beta 60.00000217
_cell_angle_gamma 60.00000072000001
_space_group_name_... | data_image0
_chemical_formula_structural Na3CrF6
_chemical_formula_sum "Na3 Cr1 F6"
_cell_length_a 5.79972
_cell_length_b 5.79972013
_cell_length_c 5.79972038
_cell_angle_alpha 60.00000193
_cell_angle_beta 60.00000217
_cell_angle_gamma 60.00000072000001
_space_group_name_... |
MoveSelectedAtomsAction | 7b4fa676-61fa-4449-870b-230fdd427020 | mp-1202750 | Move atoms at indices [15, 23] by [1.767 1.306 4.153] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd5P12Ru19
_chemical_formula_sum "Nd5 P12 Ru19"
_cell_length_a 12.62692714
_cell_length_b 12.62692714
_cell_length_c 4.014182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000594999999
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Nd5P12Ru19
_chemical_formula_sum "Nd5 P12 Ru19"
_cell_length_a 12.62692714
_cell_length_b 12.62692714
_cell_length_c 4.014182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000594999999
_space_group_name_H-M_a... |
MoveSelectedAtomsAction | 3f39e5f1-58e0-4e4f-94c9-283e271c9358 | mp-1101922 | Move atoms at indices [1, 10, 6] by [5.2 4.647 1.157] angstrom in the cif file. | data_image0
_chemical_formula_structural Eu4Fe8
_chemical_formula_sum "Eu4 Fe8"
_cell_length_a 5.501304
_cell_length_b 5.50130398
_cell_length_c 8.536266
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000009
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Eu4Fe8
_chemical_formula_sum "Eu4 Fe8"
_cell_length_a 5.501304
_cell_length_b 5.50130398
_cell_length_c 8.536266
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000009
_space_group_name_H-M_alt "P 1"
_space_... |
MoveSelectedAtomsAction | 385b2b2d-5a67-4645-9474-f953e4a85ad1 | mp-1246013 | Move atoms at indices [0, 2, 10, 9, 3, 6, 5, 1, 4, 8, 7] by [ 5.464 -2.865 -0.588] angstrom in the cif file. | data_image0
_chemical_formula_structural V2C3N6
_chemical_formula_sum "V2 C3 N6"
_cell_length_a 8.61995063
_cell_length_b 3.03350301
_cell_length_c 4.9658161
_cell_angle_alpha 90.00000913
_cell_angle_beta 79.947041
_cell_angle_gamma 79.86557683
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural V2C3N6
_chemical_formula_sum "V2 C3 N6"
_cell_length_a 8.61995063
_cell_length_b 3.03350301
_cell_length_c 4.9658161
_cell_angle_alpha 90.00000913
_cell_angle_beta 79.947041
_cell_angle_gamma 79.86557683
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 564550e3-8ccf-471b-b368-7a64e4ec30ed | mp-1180291 | Move atoms at indices [21, 12, 2, 8] by [2.483 0.734 1.746] angstrom in the cif file. | data_image0
_chemical_formula_structural MnFe2P2O18
_chemical_formula_sum "Mn1 Fe2 P2 O18"
_cell_length_a 5.325432
_cell_length_b 7.22015907
_cell_length_c 10.10152247
_cell_angle_alpha 96.54352773
_cell_angle_beta 99.75977914
_cell_angle_gamma 110.21982185
_space_group_n... | data_image0
_chemical_formula_structural MnFe2P2O18
_chemical_formula_sum "Mn1 Fe2 P2 O18"
_cell_length_a 5.325432
_cell_length_b 7.22015907
_cell_length_c 10.10152247
_cell_angle_alpha 96.54352773
_cell_angle_beta 99.75977914
_cell_angle_gamma 110.21982185
_space_group_n... |
MoveSelectedAtomsAction | 4186ea1f-20a5-44e0-9ac4-132fea1cee23 | mp-3792 | Move atoms at indices [2, 16, 1, 7, 6, 19, 14, 18, 12, 9, 11, 0, 3, 10, 15, 17, 13, 5, 8, 4] by [ 0.475 -0.072 1.396] angstrom in the cif file. | data_image0
_chemical_formula_structural Y4Al4O12
_chemical_formula_sum "Y4 Al4 O12"
_cell_length_a 5.17603105
_cell_length_b 5.31735851
_cell_length_c 7.37249317
_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 Y4Al4O12
_chemical_formula_sum "Y4 Al4 O12"
_cell_length_a 5.17603105
_cell_length_b 5.31735851
_cell_length_c 7.37249317
_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 | 6dd77e68-e0b8-4596-afcc-dad5275f9476 | mp-607917 | Move atoms at indices [19, 28, 31] by [-0.995 -0.485 -3.022] angstrom in the cif file. | data_image0
_chemical_formula_structural La21Fe8Sn7C12
_chemical_formula_sum "La21 Fe8 Sn7 C12"
_cell_length_a 11.6435625
_cell_length_b 11.6435625
_cell_length_c 11.643562499999998
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural La21Fe8Sn7C12
_chemical_formula_sum "La21 Fe8 Sn7 C12"
_cell_length_a 11.6435625
_cell_length_b 11.6435625
_cell_length_c 11.643562499999998
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... |
MoveSelectedAtomsAction | d4a56c13-bfe2-4713-94ca-1e6dd339439b | mp-2228789 | Move atoms at indices [9, 11] by [ 1.612 -0.28 1.4 ] angstrom in the cif file. | data_image0
_chemical_formula_structural MgFe6O6F6
_chemical_formula_sum "Mg1 Fe6 O6 F6"
_cell_length_a 6.93682881
_cell_length_b 15.10297566
_cell_length_c 3.10243694
_cell_angle_alpha 90.08972542
_cell_angle_beta 90.08295703
_cell_angle_gamma 135.01619084
_space_group_n... | data_image0
_chemical_formula_structural MgFe6O6F6
_chemical_formula_sum "Mg1 Fe6 O6 F6"
_cell_length_a 6.93682881
_cell_length_b 15.10297566
_cell_length_c 3.10243694
_cell_angle_alpha 90.08972542
_cell_angle_beta 90.08295703
_cell_angle_gamma 135.01619084
_space_group_n... |
MoveSelectedAtomsAction | 093f9725-ca84-4e1c-9dde-8171a8896449 | mp-2232136 | Move atoms at indices [11] by [ 0.181 -1.72 -0.124] angstrom in the cif file. | data_image0
_chemical_formula_structural K2RbTbMgV2O8
_chemical_formula_sum "K2 Rb1 Tb1 Mg1 V2 O8"
_cell_length_a 6.198612
_cell_length_b 6.22052788
_cell_length_c 8.38343734
_cell_angle_alpha 93.4753762
_cell_angle_beta 90.0
_cell_angle_gamma 119.88352324999998
_space_gr... | data_image0
_chemical_formula_structural K2RbTbMgV2O8
_chemical_formula_sum "K2 Rb1 Tb1 Mg1 V2 O8"
_cell_length_a 6.198612
_cell_length_b 6.22052788
_cell_length_c 8.38343734
_cell_angle_alpha 93.4753762
_cell_angle_beta 90.0
_cell_angle_gamma 119.88352324999998
_space_gr... |
MoveSelectedAtomsAction | 88a4f4ad-249e-45a5-9782-54da740dd3b1 | mp-804134 | Move atoms at indices [16, 18, 3, 5, 0, 2, 19, 10, 6, 15, 11, 4, 14, 1, 7, 13, 17, 12, 9] by [ 0.898 3.051 -2.36 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li5Ni3Sb2O10
_chemical_formula_sum "Li5 Ni3 Sb2 O10"
_cell_length_a 5.23986
_cell_length_b 5.36264358
_cell_length_c 7.922721919999999
_cell_angle_alpha 106.90686584
_cell_angle_beta 102.75707066000001
_cell_angle_gamma 101.80098846... | data_image0
_chemical_formula_structural Li5Ni3Sb2O10
_chemical_formula_sum "Li5 Ni3 Sb2 O10"
_cell_length_a 5.23986
_cell_length_b 5.36264358
_cell_length_c 7.922721919999999
_cell_angle_alpha 106.90686584
_cell_angle_beta 102.75707066000001
_cell_angle_gamma 101.80098846... |
MoveSelectedAtomsAction | 406d5235-e635-4f42-8105-f1145587fd01 | mp-1233214 | Move atoms at indices [13, 7, 12, 3, 5, 8, 11, 16, 4] by [-0.959 3.778 -1.793] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Y2MgFe4O10
_chemical_formula_sum "Ba2 Y2 Mg1 Fe4 O10"
_cell_length_a 3.868654
_cell_length_b 8.214905
_cell_length_c 8.698939
_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 Ba2Y2MgFe4O10
_chemical_formula_sum "Ba2 Y2 Mg1 Fe4 O10"
_cell_length_a 3.868654
_cell_length_b 8.214905
_cell_length_c 8.698939
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveSelectedAtomsAction | 6ae7a6ee-955f-43b2-8e94-31816711e93b | mp-850933 | Move atoms at indices [12, 23, 2, 0, 13, 3, 17, 5, 15, 19, 20, 7, 16, 9] by [ 3.151 -2.522 3.204] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe8O14F2
_chemical_formula_sum "Fe8 O14 F2"
_cell_length_a 7.3298373
_cell_length_b 7.3298373
_cell_length_c 6.441564
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 131.54122322
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Fe8O14F2
_chemical_formula_sum "Fe8 O14 F2"
_cell_length_a 7.3298373
_cell_length_b 7.3298373
_cell_length_c 6.441564
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 131.54122322
_space_group_name_H-M_alt "P 1"
_s... |
MoveSelectedAtomsAction | 1d5ffd03-f743-4bd4-997d-c81aa78ce43b | mp-776026 | Move atoms at indices [23, 32, 10, 8, 5, 34, 27, 16, 21, 0, 37, 4] by [ 1.768 -0.91 -1.555] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Fe8F24
_chemical_formula_sum "Li8 Fe8 F24"
_cell_length_a 8.811519
_cell_length_b 8.811519
_cell_length_c 6.203392
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural Li8Fe8F24
_chemical_formula_sum "Li8 Fe8 F24"
_cell_length_a 8.811519
_cell_length_b 8.811519
_cell_length_c 6.203392
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... |
MoveSelectedAtomsAction | 885bac84-9ba4-45f8-9b4a-3c6784ed5c20 | mp-1208177 | Move atoms at indices [0, 4, 2, 9, 7, 8, 6, 1, 3] by [-0.873 1.305 0.287] angstrom in the cif file. | data_image0
_chemical_formula_structural U8Co2
_chemical_formula_sum "U8 Co2"
_cell_length_a 6.73577333
_cell_length_b 6.73577333
_cell_length_c 6.73577333
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_gr... | data_image0
_chemical_formula_structural U8Co2
_chemical_formula_sum "U8 Co2"
_cell_length_a 6.73577333
_cell_length_b 6.73577333
_cell_length_c 6.73577333
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_gr... |
MoveSelectedAtomsAction | 31fbe44c-b3ab-47db-be8c-b2a7e0a3f6d1 | mp-1219042 | Move atoms at indices [2, 10, 4, 12, 5, 8, 7, 1, 9, 3, 6, 0] by [-0.447 1.835 0.227] angstrom in the cif file. | data_image0
_chemical_formula_structural SmMn5Co7
_chemical_formula_sum "Sm1 Mn5 Co7"
_cell_length_a 6.34837552
_cell_length_b 6.34837552
_cell_length_c 6.34837552
_cell_angle_alpha 137.60390248999997
_cell_angle_beta 97.53482762
_cell_angle_gamma 97.49096846
_space_group... | data_image0
_chemical_formula_structural SmMn5Co7
_chemical_formula_sum "Sm1 Mn5 Co7"
_cell_length_a 6.34837552
_cell_length_b 6.34837552
_cell_length_c 6.34837552
_cell_angle_alpha 137.60390248999997
_cell_angle_beta 97.53482762
_cell_angle_gamma 97.49096846
_space_group... |
MoveSelectedAtomsAction | ee2b9eee-a026-454c-b67c-6ca960395936 | mp-1026556 | Move atoms at indices [9, 11, 7, 12, 6, 3, 4, 8, 15] by [1.048 0.732 1.503] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14CrC
_chemical_formula_sum "Mg14 Cr1 C1"
_cell_length_a 6.30597991
_cell_length_b 6.44472008
_cell_length_c 9.68284988
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.73051301000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg14CrC
_chemical_formula_sum "Mg14 Cr1 C1"
_cell_length_a 6.30597991
_cell_length_b 6.44472008
_cell_length_c 9.68284988
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.73051301000001
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 0f212fc9-2b18-4cb5-90b4-e7bd8882d59c | mp-3380 | Move atoms at indices [13, 7, 6, 10, 3, 5, 12, 11, 9, 1, 0] by [ 1.179 -0.922 -0.397] angstrom in the cif file. | data_image0
_chemical_formula_structural La4Rh4C8
_chemical_formula_sum "La4 Rh4 C8"
_cell_length_a 3.991291
_cell_length_b 3.991291
_cell_length_c 15.419415
_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 La4Rh4C8
_chemical_formula_sum "La4 Rh4 C8"
_cell_length_a 3.991291
_cell_length_b 3.991291
_cell_length_c 15.419415
_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 | cec28616-3627-46de-882c-f50e32ec1dd4 | mp-570405 | Move atoms at indices [24, 53, 12, 22, 61, 37, 56, 40, 49, 63, 36, 11] by [-1.252 0.029 -2.758] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti4Hg24P16Cl28
_chemical_formula_sum "Ti4 Hg24 P16 Cl28"
_cell_length_a 12.046794
_cell_length_b 12.046794
_cell_length_c 12.046794
_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 Ti4Hg24P16Cl28
_chemical_formula_sum "Ti4 Hg24 P16 Cl28"
_cell_length_a 12.046794
_cell_length_b 12.046794
_cell_length_c 12.046794
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveSelectedAtomsAction | 5a0997f9-40f8-4b73-9d99-b4bdda4a0f91 | mp-19489 | Move atoms at indices [22, 15, 32, 26, 54, 4, 57, 64, 29, 58, 8, 60] by [ 0.342 -1.736 0.548] angstrom in the cif file. | data_image0
_chemical_formula_structural Sm4Co4B20O40
_chemical_formula_sum "Sm4 Co4 B20 O40"
_cell_length_a 7.654513
_cell_length_b 8.746298
_cell_length_c 9.469615910000002
_cell_angle_alpha 86.99432535
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sm4Co4B20O40
_chemical_formula_sum "Sm4 Co4 B20 O40"
_cell_length_a 7.654513
_cell_length_b 8.746298
_cell_length_c 9.469615910000002
_cell_angle_alpha 86.99432535
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveSelectedAtomsAction | b65709e6-7d19-4736-9ddf-c85a9d7f0741 | mp-1197276 | Move atoms at indices [14, 3, 46, 23, 52, 35, 16, 27, 38, 34, 22, 17, 44, 37, 21, 0, 9, 11, 41, 54, 49, 28, 32, 2, 15, 26, 25, 20, 13, 1, 4, 48] by [ 1.525 -3.435 0.227] angstrom in the cif file. | data_image0
_chemical_formula_structural La14I6O36
_chemical_formula_sum "La14 I6 O36"
_cell_length_a 16.40249444
_cell_length_b 16.40249444
_cell_length_c 4.250983
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000177999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural La14I6O36
_chemical_formula_sum "La14 I6 O36"
_cell_length_a 16.40249444
_cell_length_b 16.40249444
_cell_length_c 4.250983
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000177999999
_space_group_name_H-M_alt... |
MoveSelectedAtomsAction | 71d5c9d2-56cd-4d94-9675-c43330e5a846 | mp-1205145 | Move atoms at indices [27, 5, 42, 76, 12, 57, 85, 30, 64, 26, 87, 70, 62, 13, 53, 39, 59, 50, 18, 83, 34, 33, 8, 1, 14, 44, 77, 24, 35, 23, 45, 19, 16, 75, 40, 61, 67, 80, 43, 10, 86, 11, 55, 84, 56, 32, 58, 41, 37, 29, 3, 52, 54, 81, 36, 79] by [1.01 0.416 0.454] angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Ti4Si16H8O52
_chemical_formula_sum "Na8 Ti4 Si16 H8 O52"
_cell_length_a 7.446428
_cell_length_b 8.787016
_cell_length_c 16.530264
_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 Na8Ti4Si16H8O52
_chemical_formula_sum "Na8 Ti4 Si16 H8 O52"
_cell_length_a 7.446428
_cell_length_b 8.787016
_cell_length_c 16.530264
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | 5c92b85e-294a-4da8-8e77-836bdae4407a | mp-1177530 | Move atoms at indices [19, 18, 6, 20, 12, 21, 4, 24, 14, 27, 10, 22, 16, 17, 7, 3, 13, 5, 0, 8, 15, 11, 1, 23, 25, 2] by [-2.312 -2.658 -2.509] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn2Ni3Sn3O16
_chemical_formula_sum "Li4 Mn2 Ni3 Sn3 O16"
_cell_length_a 6.03544694
_cell_length_b 6.03544694
_cell_length_c 9.53802986
_cell_angle_alpha 89.87409019
_cell_angle_beta 89.87409019
_cell_angle_gamma 60.49918437000001... | data_image0
_chemical_formula_structural Li4Mn2Ni3Sn3O16
_chemical_formula_sum "Li4 Mn2 Ni3 Sn3 O16"
_cell_length_a 6.03544694
_cell_length_b 6.03544694
_cell_length_c 9.53802986
_cell_angle_alpha 89.87409019
_cell_angle_beta 89.87409019
_cell_angle_gamma 60.49918437000001... |
MoveSelectedAtomsAction | cf7391a4-1a78-42e5-87ee-70d9b766915c | mp-19484 | Move atoms at indices [27] by [ 2.115 1.261 -3.239] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Ca4V8O28
_chemical_formula_sum "Ba4 Ca4 V8 O28"
_cell_length_a 5.871943
_cell_length_b 7.615046
_cell_length_c 15.713467
_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 Ba4Ca4V8O28
_chemical_formula_sum "Ba4 Ca4 V8 O28"
_cell_length_a 5.871943
_cell_length_b 7.615046
_cell_length_c 15.713467
_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 | 7a9481a4-0285-498c-a1a7-cc02931ea38d | mp-1237178 | Move atoms at indices [7, 1, 0, 2, 6] by [ 1.352 -0.167 1.554] 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... |
MoveSelectedAtomsAction | bade74fe-165c-4a88-91c5-827e381fe8c2 | mp-11609 | Move atoms at indices [0, 9, 4, 3, 6, 7, 1, 5] by [ 2.393 0.75 -2.123] 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 | c9172d2c-57db-403f-bb2b-dd889bed4b7f | mp-752908 | Move atoms at indices [0, 18, 3, 8, 9, 20, 11, 6, 4, 17, 15, 13, 19, 14] by [-0.229 0.358 -0.255] angstrom in the cif file. | data_image0
_chemical_formula_structural Li6Ni5O10
_chemical_formula_sum "Li6 Ni5 O10"
_cell_length_a 5.173842
_cell_length_b 5.63596531
_cell_length_c 7.7451140800000005
_cell_angle_alpha 70.79099217
_cell_angle_beta 70.80090629
_cell_angle_gamma 66.90567389
_space_group... | data_image0
_chemical_formula_structural Li6Ni5O10
_chemical_formula_sum "Li6 Ni5 O10"
_cell_length_a 5.173842
_cell_length_b 5.63596531
_cell_length_c 7.7451140800000005
_cell_angle_alpha 70.79099217
_cell_angle_beta 70.80090629
_cell_angle_gamma 66.90567389
_space_group... |
MoveSelectedAtomsAction | 7639d9da-d45f-4a4f-acb2-5841e6757075 | mp-1224446 | Move atoms at indices [7, 9, 10, 8, 11, 5, 2, 1, 0, 3, 6] by [-0.717 -0.088 -0.561] angstrom in the cif file. | data_image0
_chemical_formula_structural Hf3TaFe8
_chemical_formula_sum "Hf3 Ta1 Fe8"
_cell_length_a 4.94351674
_cell_length_b 4.94351723
_cell_length_c 8.06256995
_cell_angle_alpha 89.99999899
_cell_angle_beta 89.99998777
_cell_angle_gamma 119.99922461000001
_space_group... | data_image0
_chemical_formula_structural Hf3TaFe8
_chemical_formula_sum "Hf3 Ta1 Fe8"
_cell_length_a 4.94351674
_cell_length_b 4.94351723
_cell_length_c 8.06256995
_cell_angle_alpha 89.99999899
_cell_angle_beta 89.99998777
_cell_angle_gamma 119.99922461000001
_space_group... |
MoveSelectedAtomsAction | 2d5e8bc2-751f-4689-b4fa-d4aba024a8f7 | mp-1234927 | Move atoms at indices [14, 5, 24, 16, 23] by [-0.167 -1.722 -2.568] angstrom in the cif file. | data_image0
_chemical_formula_structural MgFe8O14F2
_chemical_formula_sum "Mg1 Fe8 O14 F2"
_cell_length_a 5.17318023
_cell_length_b 5.174828819999999
_cell_length_c 11.60459846
_cell_angle_alpha 90.64518616999999
_cell_angle_beta 89.40149404
_cell_angle_gamma 102.09013924
... | data_image0
_chemical_formula_structural MgFe8O14F2
_chemical_formula_sum "Mg1 Fe8 O14 F2"
_cell_length_a 5.17318023
_cell_length_b 5.174828819999999
_cell_length_c 11.60459846
_cell_angle_alpha 90.64518616999999
_cell_angle_beta 89.40149404
_cell_angle_gamma 102.09013924
... |
MoveSelectedAtomsAction | 00a4b310-5846-4e80-bc09-880c6dac6295 | mp-2230845 | Move atoms at indices [8, 0, 12, 17, 11, 5, 1, 9, 16, 3, 10, 15, 4, 6, 18] by [-2.86 -4.404 1.024] angstrom in the cif file. | data_image0
_chemical_formula_structural MgTi2Si4O12
_chemical_formula_sum "Mg1 Ti2 Si4 O12"
_cell_length_a 6.63563542
_cell_length_b 6.63563498
_cell_length_c 5.3560216
_cell_angle_alpha 74.90893322
_cell_angle_beta 105.09106296
_cell_angle_gamma 97.10995471000001
_space... | data_image0
_chemical_formula_structural MgTi2Si4O12
_chemical_formula_sum "Mg1 Ti2 Si4 O12"
_cell_length_a 6.63563542
_cell_length_b 6.63563498
_cell_length_c 5.3560216
_cell_angle_alpha 74.90893322
_cell_angle_beta 105.09106296
_cell_angle_gamma 97.10995471000001
_space... |
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