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 | 1389b8af-6f58-4f04-9279-a7ca46225e11 | mp-1100732 | Move atoms at indices [23, 8, 21, 19, 20, 28, 12, 9, 25, 30, 3, 6, 5, 13, 10, 17, 26, 31, 15, 7] by [ 0.047 -2.596 -3.806] angstrom in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 2.900659
_cell_length_b 5.162968
_cell_length_c 19.52455185
_cell_angle_alpha 84.59949490000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 2.900659
_cell_length_b 5.162968
_cell_length_c 19.52455185
_cell_angle_alpha 84.59949490000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveSelectedAtomsAction | 472288c4-0df2-4cb0-bc7d-9f4c95e06409 | mp-645694 | Move atoms at indices [24, 23, 33, 18, 9, 14, 13, 16, 26, 37, 11, 35, 5, 32, 28, 1] by [0.453 3.176 3.474] angstrom in the cif file. | data_image0
_chemical_formula_structural Ce12Lu4Se24
_chemical_formula_sum "Ce12 Lu4 Se24"
_cell_length_a 4.100907
_cell_length_b 14.521528
_cell_length_c 17.57191
_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 Ce12Lu4Se24
_chemical_formula_sum "Ce12 Lu4 Se24"
_cell_length_a 4.100907
_cell_length_b 14.521528
_cell_length_c 17.57191
_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 | 3e19c910-d9df-4d81-85de-eebbd01844e3 | mp-554397 | Move atoms at indices [1, 0, 4, 7, 8, 15, 10, 6, 2, 5, 14, 13, 12, 9, 11, 19, 21, 18, 22, 17, 23, 20] by [ 2.182 -1.075 -5.57 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Si8O16
_chemical_formula_sum "Si8 O16"
_cell_length_a 4.719159
_cell_length_b 7.122919
_cell_length_c 9.774747
_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 Si8O16
_chemical_formula_sum "Si8 O16"
_cell_length_a 4.719159
_cell_length_b 7.122919
_cell_length_c 9.774747
_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 | 3a81dad1-9c7c-4e52-95c8-5db53c4b5347 | mp-2228450 | Move atoms at indices [3, 12, 6, 5, 10, 7] by [ 4.024 -0.911 -1.35 ] angstrom in the cif file. | data_image0
_chemical_formula_structural MgMn3Cd2O8
_chemical_formula_sum "Mg1 Mn3 Cd2 O8"
_cell_length_a 5.33675026
_cell_length_b 6.23243229
_cell_length_c 5.85035914
_cell_angle_alpha 108.86450955000001
_cell_angle_beta 116.33163397
_cell_angle_gamma 89.52435890000001
... | data_image0
_chemical_formula_structural MgMn3Cd2O8
_chemical_formula_sum "Mg1 Mn3 Cd2 O8"
_cell_length_a 5.33675026
_cell_length_b 6.23243229
_cell_length_c 5.85035914
_cell_angle_alpha 108.86450955000001
_cell_angle_beta 116.33163397
_cell_angle_gamma 89.52435890000001
... |
MoveSelectedAtomsAction | 60eb0acd-323b-4f3d-80c2-cf3b04aff794 | mp-736701 | Move atoms at indices [37, 11, 48, 44, 35, 60, 13, 5, 25, 22, 8, 45, 61, 39, 15, 20, 46, 23, 30, 54, 58, 52, 4, 57] by [-0.18 2.078 3.638] angstrom in the cif file. | data_image0
_chemical_formula_structural P16Pt4I4O40
_chemical_formula_sum "P16 Pt4 I4 O40"
_cell_length_a 22.055377
_cell_length_b 11.048324
_cell_length_c 16.91252637
_cell_angle_alpha 60.475079529999995
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural P16Pt4I4O40
_chemical_formula_sum "P16 Pt4 I4 O40"
_cell_length_a 22.055377
_cell_length_b 11.048324
_cell_length_c 16.91252637
_cell_angle_alpha 60.475079529999995
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
MoveSelectedAtomsAction | f2bc9f4e-32cd-4111-992c-d329270e2377 | mp-560156 | Move atoms at indices [1, 11, 7, 14, 27, 17, 21, 19, 25, 15, 23, 8, 24, 20, 3, 13, 9, 12, 6, 16, 5, 18, 22] by [ 0.963 -0.948 -1.078] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr4Tl4V4O16
_chemical_formula_sum "Sr4 Tl4 V4 O16"
_cell_length_a 5.955183
_cell_length_b 7.66787
_cell_length_c 10.189353
_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 Sr4Tl4V4O16
_chemical_formula_sum "Sr4 Tl4 V4 O16"
_cell_length_a 5.955183
_cell_length_b 7.66787
_cell_length_c 10.189353
_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 | 859efd6f-35a9-41ea-a4fc-4333e1509b9b | mp-1223453 | Move atoms at indices [8, 3, 7, 1, 2, 0, 6, 4, 5, 9] by [-1.89 -0.651 -1.299] angstrom in the cif file. | data_image0
_chemical_formula_structural La2Ga5Au3
_chemical_formula_sum "La2 Ga5 Au3"
_cell_length_a 4.479646
_cell_length_b 4.479646
_cell_length_c 10.965007
_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 La2Ga5Au3
_chemical_formula_sum "La2 Ga5 Au3"
_cell_length_a 4.479646
_cell_length_b 4.479646
_cell_length_c 10.965007
_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 | eca35bee-a11c-4e4f-9582-6b002a5edd1e | mp-13602 | Move atoms at indices [51, 38, 25] by [ 0.667 -0.302 2.222] angstrom in the cif file. | data_image0
_chemical_formula_structural Cd12As8O32
_chemical_formula_sum "Cd12 As8 O32"
_cell_length_a 12.07996432
_cell_length_b 6.65751238
_cell_length_c 9.28880579
_cell_angle_alpha 81.67061731000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Cd12As8O32
_chemical_formula_sum "Cd12 As8 O32"
_cell_length_a 12.07996432
_cell_length_b 6.65751238
_cell_length_c 9.28880579
_cell_angle_alpha 81.67061731000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
MoveSelectedAtomsAction | 443a1a3e-eac0-4768-ac23-5bd974e021a1 | mp-1212542 | Move atoms at indices [15, 19, 5, 37, 2, 23, 34, 27, 10, 28, 29, 38] by [ 0.169 0.135 -1.737] angstrom in the cif file. | data_image0
_chemical_formula_structural H18C6I2N12O2
_chemical_formula_sum "H18 C6 I2 N12 O2"
_cell_length_a 6.169982
_cell_length_b 7.133423
_cell_length_c 11.644986569999999
_cell_angle_alpha 104.05347566
_cell_angle_beta 94.59936622
_cell_angle_gamma 109.12017428
_spa... | data_image0
_chemical_formula_structural H18C6I2N12O2
_chemical_formula_sum "H18 C6 I2 N12 O2"
_cell_length_a 6.169982
_cell_length_b 7.133423
_cell_length_c 11.644986569999999
_cell_angle_alpha 104.05347566
_cell_angle_beta 94.59936622
_cell_angle_gamma 109.12017428
_spa... |
MoveSelectedAtomsAction | bdf10fd5-4f08-4c5d-94b1-5b8d8813fc60 | mp-755195 | Move atoms at indices [0, 16, 5, 6, 9, 12, 13, 17, 7, 3, 15] by [-3.282 0.238 -1.554] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe6O10F2
_chemical_formula_sum "Fe6 O10 F2"
_cell_length_a 5.54976087
_cell_length_b 5.549760870000001
_cell_length_c 7.303701070000001
_cell_angle_alpha 70.88119254000001
_cell_angle_beta 70.88119254000001
_cell_angle_gamma 70.7014... | data_image0
_chemical_formula_structural Fe6O10F2
_chemical_formula_sum "Fe6 O10 F2"
_cell_length_a 5.54976087
_cell_length_b 5.549760870000001
_cell_length_c 7.303701070000001
_cell_angle_alpha 70.88119254000001
_cell_angle_beta 70.88119254000001
_cell_angle_gamma 70.7014... |
MoveSelectedAtomsAction | 8146741b-d823-4e0a-a1c5-f98c06dbc550 | mp-770517 | Move atoms at indices [79, 16, 42, 50, 37, 11, 75, 38, 72, 35, 76, 14, 19, 53, 52, 60, 73, 15, 74, 63, 45, 55, 33, 66, 20, 47, 41, 61, 70, 58, 78, 22, 49, 68, 12, 8, 64, 24, 44, 59, 43, 36, 56, 6, 46, 25, 30, 23, 67, 77, 9, 69, 5, 62, 48, 4, 21] by [ 0.046 -0.578 -1.021] angstrom in the cif file. | data_image0
_chemical_formula_structural Li36Al4Ni8O32
_chemical_formula_sum "Li36 Al4 Ni8 O32"
_cell_length_a 6.370312
_cell_length_b 7.510015
_cell_length_c 15.826979
_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 Li36Al4Ni8O32
_chemical_formula_sum "Li36 Al4 Ni8 O32"
_cell_length_a 6.370312
_cell_length_b 7.510015
_cell_length_c 15.826979
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveSelectedAtomsAction | 52d7a19f-6e80-48e4-818b-0b91eb598214 | mp-12491 | Move atoms at indices [3, 1, 2, 6, 0, 7, 8, 9, 10, 11] by [ 0.621 -2.318 0.71 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2La2Cd2Te6
_chemical_formula_sum "Cs2 La2 Cd2 Te6"
_cell_length_a 8.83665743
_cell_length_b 8.83665743
_cell_length_c 12.28456919
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 149.08221441
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Cs2La2Cd2Te6
_chemical_formula_sum "Cs2 La2 Cd2 Te6"
_cell_length_a 8.83665743
_cell_length_b 8.83665743
_cell_length_c 12.28456919
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 149.08221441
_space_group_name_H-M_a... |
MoveSelectedAtomsAction | 9853df0a-3c54-4949-804c-694773c27d39 | mp-1517360 | Move atoms at indices [4, 10, 9, 15, 17, 11, 5, 13, 1, 14, 2, 12, 6] by [-2.823 -0.152 -3.143] angstrom in the cif file. | data_image0
_chemical_formula_structural BaDyTi4O12
_chemical_formula_sum "Ba1 Dy1 Ti4 O12"
_cell_length_a 5.53194107
_cell_length_b 5.53194107
_cell_length_c 7.7862193
_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 BaDyTi4O12
_chemical_formula_sum "Ba1 Dy1 Ti4 O12"
_cell_length_a 5.53194107
_cell_length_b 5.53194107
_cell_length_c 7.7862193
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveSelectedAtomsAction | 71af8f56-e1a1-4ac1-b6f9-bbd266b46156 | mp-1213576 | Move atoms at indices [43, 26, 18, 16, 7, 33, 52, 58, 39, 12, 3, 42] by [-0.746 4.803 1.218] angstrom in the cif file. | data_image0
_chemical_formula_structural Cu16Ni2Sb6S26N12
_chemical_formula_sum "Cu16 Ni2 Sb6 S26 N12"
_cell_length_a 12.53861968
_cell_length_b 12.538619680000002
_cell_length_c 12.53861968
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_ga... | data_image0
_chemical_formula_structural Cu16Ni2Sb6S26N12
_chemical_formula_sum "Cu16 Ni2 Sb6 S26 N12"
_cell_length_a 12.53861968
_cell_length_b 12.538619680000002
_cell_length_c 12.53861968
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_ga... |
MoveSelectedAtomsAction | cea21b97-25f0-42f3-8c31-c199ef8d1ecc | mp-556027 | Move atoms at indices [6, 1, 3, 11, 14, 2, 9, 8] by [0.193 0.493 3.041] angstrom in the cif file. | data_image0
_chemical_formula_structural Si6O12
_chemical_formula_sum "Si6 O12"
_cell_length_a 9.59877805
_cell_length_b 9.59877805
_cell_length_c 9.59877768
_cell_angle_alpha 117.33407439
_cell_angle_beta 117.33407439
_cell_angle_gamma 117.33406562
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Si6O12
_chemical_formula_sum "Si6 O12"
_cell_length_a 9.59877805
_cell_length_b 9.59877805
_cell_length_c 9.59877768
_cell_angle_alpha 117.33407439
_cell_angle_beta 117.33407439
_cell_angle_gamma 117.33406562
_space_group_name_H-M_... |
MoveSelectedAtomsAction | 93a106d9-3224-455d-82df-8969333bd9cb | mp-16415 | Move atoms at indices [16, 11, 0, 17, 7, 19, 15, 3, 5, 10, 12] by [1.517 0.805 0.387] angstrom in the cif file. | data_image0
_chemical_formula_structural La4Pd4O12
_chemical_formula_sum "La4 Pd4 O12"
_cell_length_a 5.6198672
_cell_length_b 5.91080386
_cell_length_c 7.823997519999999
_cell_angle_alpha 90.00083176
_cell_angle_beta 90.00225172999998
_cell_angle_gamma 89.99945815000001
... | data_image0
_chemical_formula_structural La4Pd4O12
_chemical_formula_sum "La4 Pd4 O12"
_cell_length_a 5.6198672
_cell_length_b 5.91080386
_cell_length_c 7.823997519999999
_cell_angle_alpha 90.00083176
_cell_angle_beta 90.00225172999998
_cell_angle_gamma 89.99945815000001
... |
MoveSelectedAtomsAction | a1518888-7645-4c32-a8d7-5e56e1c1b3c9 | mp-776235 | Move atoms at indices [2, 6, 7] by [0.208 2.476 4.01 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr8N8O4
_chemical_formula_sum "Zr8 N8 O4"
_cell_length_a 3.123818
_cell_length_b 5.575557
_cell_length_c 13.840907
_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 Zr8N8O4
_chemical_formula_sum "Zr8 N8 O4"
_cell_length_a 3.123818
_cell_length_b 5.575557
_cell_length_c 13.840907
_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 | 389c1d39-bad9-4d4b-be1b-f827bf77cdde | mp-1111700 | Move atoms at indices [1, 9] by [ 1.655 -1.403 -2.851] angstrom in the cif file. | data_image0
_chemical_formula_structural Na3TlBr6
_chemical_formula_sum "Na3 Tl1 Br6"
_cell_length_a 7.95609256
_cell_length_b 7.95609256
_cell_length_c 7.95609256
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_... | data_image0
_chemical_formula_structural Na3TlBr6
_chemical_formula_sum "Na3 Tl1 Br6"
_cell_length_a 7.95609256
_cell_length_b 7.95609256
_cell_length_c 7.95609256
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_... |
MoveSelectedAtomsAction | 2a668b09-6046-4250-9576-5a4fcca0915c | mp-758121 | Move atoms at indices [27, 5, 24, 19, 21, 10, 1, 2, 8, 25, 16, 7, 6, 23, 9, 15, 17, 0, 20, 18, 13, 12, 11, 3, 22, 26, 4] by [-2.095 -0.273 2.268] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe4C6O18
_chemical_formula_sum "Fe4 C6 O18"
_cell_length_a 7.63148901
_cell_length_b 7.63148901
_cell_length_c 7.63148831
_cell_angle_alpha 109.07792927
_cell_angle_beta 109.07792927
_cell_angle_gamma 109.07792998
_space_group_name... | data_image0
_chemical_formula_structural Fe4C6O18
_chemical_formula_sum "Fe4 C6 O18"
_cell_length_a 7.63148901
_cell_length_b 7.63148901
_cell_length_c 7.63148831
_cell_angle_alpha 109.07792927
_cell_angle_beta 109.07792927
_cell_angle_gamma 109.07792998
_space_group_name... |
MoveSelectedAtomsAction | fdb63226-ae65-4aa4-89bf-1614d1c866a6 | mp-1111403 | Move atoms at indices [5, 4, 8] by [-0.902 0.148 -2.876] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2BiAuF6
_chemical_formula_sum "Rb2 Bi1 Au1 F6"
_cell_length_a 6.71700672
_cell_length_b 6.71700672
_cell_length_c 6.71700672
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Rb2BiAuF6
_chemical_formula_sum "Rb2 Bi1 Au1 F6"
_cell_length_a 6.71700672
_cell_length_b 6.71700672
_cell_length_c 6.71700672
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... |
MoveSelectedAtomsAction | 978e99e9-d728-4528-8b50-f0c9fdb031e9 | mp-558751 | Move atoms at indices [18, 26, 50, 36, 3, 1, 55, 23, 5, 46, 15, 6, 17, 40, 25, 39, 54, 7, 53, 35, 45, 27, 22, 32, 44, 29, 48, 0, 37, 43, 38, 16] by [ 1.218 -2.13 -0.734] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca8Bi16O32
_chemical_formula_sum "Ca8 Bi16 O32"
_cell_length_a 10.19674131
_cell_length_b 10.19674131
_cell_length_c 12.414665430000001
_cell_angle_alpha 61.70359441
_cell_angle_beta 61.70359441
_cell_angle_gamma 68.83986534
_space... | data_image0
_chemical_formula_structural Ca8Bi16O32
_chemical_formula_sum "Ca8 Bi16 O32"
_cell_length_a 10.19674131
_cell_length_b 10.19674131
_cell_length_c 12.414665430000001
_cell_angle_alpha 61.70359441
_cell_angle_beta 61.70359441
_cell_angle_gamma 68.83986534
_space... |
MoveSelectedAtomsAction | 0a616375-d8df-4f9d-bbd5-37999dd1b364 | mp-1191760 | Move atoms at indices [19, 23, 9, 4, 14, 13, 21, 11, 22, 5, 7, 15, 3, 2, 6, 24, 10, 8, 17] by [-0.522 -0.444 2.25 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Na5V2P3O15
_chemical_formula_sum "Na5 V2 P3 O15"
_cell_length_a 5.22719757
_cell_length_b 6.361366
_cell_length_c 10.65333373
_cell_angle_alpha 72.62873264
_cell_angle_beta 89.65477152999999
_cell_angle_gamma 88.84362522
_space_gro... | data_image0
_chemical_formula_structural Na5V2P3O15
_chemical_formula_sum "Na5 V2 P3 O15"
_cell_length_a 5.22719757
_cell_length_b 6.361366
_cell_length_c 10.65333373
_cell_angle_alpha 72.62873264
_cell_angle_beta 89.65477152999999
_cell_angle_gamma 88.84362522
_space_gro... |
MoveSelectedAtomsAction | 4f53e5e1-eaba-4d49-9c8c-6ef38d9ed66d | mp-777849 | Move atoms at indices [5, 6, 10, 23, 12, 16] by [-1.138 -0.337 2.539] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb3P6WO24
_chemical_formula_sum "Nb3 P6 W1 O24"
_cell_length_a 9.07141994
_cell_length_b 9.07141994
_cell_length_c 9.07141925
_cell_angle_alpha 58.51358548
_cell_angle_beta 58.51358548
_cell_angle_gamma 58.51358863
_space_group_nam... | data_image0
_chemical_formula_structural Nb3P6WO24
_chemical_formula_sum "Nb3 P6 W1 O24"
_cell_length_a 9.07141994
_cell_length_b 9.07141994
_cell_length_c 9.07141925
_cell_angle_alpha 58.51358548
_cell_angle_beta 58.51358548
_cell_angle_gamma 58.51358863
_space_group_nam... |
MoveSelectedAtomsAction | d796dd80-e216-454d-a29f-e4b18bd02513 | mp-9107 | Move atoms at indices [11] by [ 0.771 0.613 -1.375] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2Zr2Cu2S6
_chemical_formula_sum "Na2 Zr2 Cu2 S6"
_cell_length_a 6.81193218
_cell_length_b 6.8119321799999994
_cell_length_c 9.80788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.38130313000002
_space_group_na... | data_image0
_chemical_formula_structural Na2Zr2Cu2S6
_chemical_formula_sum "Na2 Zr2 Cu2 S6"
_cell_length_a 6.81193218
_cell_length_b 6.8119321799999994
_cell_length_c 9.80788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.38130313000002
_space_group_na... |
MoveSelectedAtomsAction | 13ed586d-7f2f-4420-9d06-c137b064c6fc | mp-770952 | Move atoms at indices [6, 5, 1, 21, 15, 26, 24, 3, 22, 14, 16, 2, 25, 9, 17, 23, 0, 12] by [ 2.687 1.313 -3.061] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Co3NiP4O16
_chemical_formula_sum "Li4 Co3 Ni1 P4 O16"
_cell_length_a 5.965139
_cell_length_b 4.745757
_cell_length_c 10.23215505
_cell_angle_alpha 89.96373711
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li4Co3NiP4O16
_chemical_formula_sum "Li4 Co3 Ni1 P4 O16"
_cell_length_a 5.965139
_cell_length_b 4.745757
_cell_length_c 10.23215505
_cell_angle_alpha 89.96373711
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
MoveSelectedAtomsAction | 801e532c-45cf-4f34-bb71-42be11266663 | mp-1198961 | Move atoms at indices [49, 28, 22, 11, 40, 3, 18, 27, 53, 8, 54, 42, 25, 12, 23, 52, 17, 32, 24, 13, 35] by [-0.405 -0.006 -4.559] angstrom in the cif file. | data_image0
_chemical_formula_structural Tl4Co4Br24N24
_chemical_formula_sum "Tl4 Co4 Br24 N24"
_cell_length_a 10.8315
_cell_length_b 10.8315
_cell_length_c 10.8315
_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 Tl4Co4Br24N24
_chemical_formula_sum "Tl4 Co4 Br24 N24"
_cell_length_a 10.8315
_cell_length_b 10.8315
_cell_length_c 10.8315
_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 | 2d073362-9f8e-49ab-8400-1b76cda03954 | mp-1111648 | Move atoms at indices [5, 3, 8, 4, 6, 7, 1, 2] by [-1.445 0.17 -0.699] angstrom in the cif file. | data_image0
_chemical_formula_structural K2NaDyCl6
_chemical_formula_sum "K2 Na1 Dy1 Cl6"
_cell_length_a 7.58312909
_cell_length_b 7.58312909
_cell_length_c 7.58312909
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural K2NaDyCl6
_chemical_formula_sum "K2 Na1 Dy1 Cl6"
_cell_length_a 7.58312909
_cell_length_b 7.58312909
_cell_length_c 7.58312909
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... |
MoveSelectedAtomsAction | da23d973-fcd6-475a-b415-d6b507e1845f | mp-1519755 | Move atoms at indices [1, 6, 8, 9, 4, 3, 0, 7, 5] by [1.693 2.107 2.185] angstrom in the cif file. | data_image0
_chemical_formula_structural SrSmEuVO6
_chemical_formula_sum "Sr1 Sm1 Eu1 V1 O6"
_cell_length_a 5.84831436
_cell_length_b 5.848314359999999
_cell_length_c 5.848314359999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural SrSmEuVO6
_chemical_formula_sum "Sr1 Sm1 Eu1 V1 O6"
_cell_length_a 5.84831436
_cell_length_b 5.848314359999999
_cell_length_c 5.848314359999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... |
MoveSelectedAtomsAction | 5dfd311a-75a9-4022-a49f-c4769dca103c | mp-1212166 | Move atoms at indices [12, 22, 7, 6, 14, 18] by [-3.177 0.664 -1.896] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Eu2W4O16
_chemical_formula_sum "Li2 Eu2 W4 O16"
_cell_length_a 5.930097
_cell_length_b 5.150122
_cell_length_c 11.0886678
_cell_angle_alpha 67.27377906999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Li2Eu2W4O16
_chemical_formula_sum "Li2 Eu2 W4 O16"
_cell_length_a 5.930097
_cell_length_b 5.150122
_cell_length_c 11.0886678
_cell_angle_alpha 67.27377906999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveSelectedAtomsAction | 29b7517d-3b8d-4ae7-8d5d-1c683549a2e5 | mp-554508 | Move atoms at indices [37, 6, 16, 27, 40] by [ 0.377 1.238 -0.501] angstrom in the cif file. | data_image0
_chemical_formula_structural K4Y4P8O28
_chemical_formula_sum "K4 Y4 P8 O28"
_cell_length_a 7.55283602
_cell_length_b 8.59399284
_cell_length_c 10.95318287
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 107.53414731
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4Y4P8O28
_chemical_formula_sum "K4 Y4 P8 O28"
_cell_length_a 7.55283602
_cell_length_b 8.59399284
_cell_length_c 10.95318287
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 107.53414731
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | bcd9be08-75d5-4615-89af-8084a1eb0828 | mp-1234735 | Move atoms at indices [11, 2, 44, 45, 6, 41, 28, 7, 35, 29, 0, 18, 15] by [-0.465 -1.064 -2.933] angstrom in the cif file. | data_image0
_chemical_formula_structural MgMn8Si10O30
_chemical_formula_sum "Mg1 Mn8 Si10 O30"
_cell_length_a 6.80069302
_cell_length_b 7.519325049999999
_cell_length_c 12.11559097
_cell_angle_alpha 106.48415729
_cell_angle_beta 94.21232844999999
_cell_angle_gamma 94.78790... | data_image0
_chemical_formula_structural MgMn8Si10O30
_chemical_formula_sum "Mg1 Mn8 Si10 O30"
_cell_length_a 6.80069302
_cell_length_b 7.519325049999999
_cell_length_c 12.11559097
_cell_angle_alpha 106.48415729
_cell_angle_beta 94.21232844999999
_cell_angle_gamma 94.78790... |
MoveSelectedAtomsAction | 541f4aed-abd5-4e56-9951-0610b069c852 | mp-1176984 | Move atoms at indices [57, 42, 45, 17, 10, 35, 67, 27, 2, 31, 28, 69, 39, 62, 49, 52, 41, 64, 63, 40, 61, 51, 7, 9, 38, 74, 13, 25, 68, 77] by [ 0.881 -2.421 -0.321] angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Mn2V6P12O48
_chemical_formula_sum "Li12 Mn2 V6 P12 O48"
_cell_length_a 8.496473
_cell_length_b 8.63314101
_cell_length_c 14.98279131
_cell_angle_alpha 92.30470291
_cell_angle_beta 103.94145626000001
_cell_angle_gamma 118.2181397... | data_image0
_chemical_formula_structural Li12Mn2V6P12O48
_chemical_formula_sum "Li12 Mn2 V6 P12 O48"
_cell_length_a 8.496473
_cell_length_b 8.63314101
_cell_length_c 14.98279131
_cell_angle_alpha 92.30470291
_cell_angle_beta 103.94145626000001
_cell_angle_gamma 118.2181397... |
MoveSelectedAtomsAction | 3906dd62-6f39-48a3-abe1-92a1fbefe611 | mp-2229854 | Move atoms at indices [4, 15, 3, 7, 9, 11, 1, 10, 14, 6, 16, 12, 8, 0, 13, 2, 5] by [ 2.82 -0.835 -1.864] angstrom in the cif file. | data_image0
_chemical_formula_structural MgPb4W2O10
_chemical_formula_sum "Mg1 Pb4 W2 O10"
_cell_length_a 5.87975561
_cell_length_b 7.77356628
_cell_length_c 10.18141938
_cell_angle_alpha 119.91521942
_cell_angle_beta 106.78309567999999
_cell_angle_gamma 89.99999797
_spac... | data_image0
_chemical_formula_structural MgPb4W2O10
_chemical_formula_sum "Mg1 Pb4 W2 O10"
_cell_length_a 5.87975561
_cell_length_b 7.77356628
_cell_length_c 10.18141938
_cell_angle_alpha 119.91521942
_cell_angle_beta 106.78309567999999
_cell_angle_gamma 89.99999797
_spac... |
MoveSelectedAtomsAction | 5f74cb5f-5115-46e3-b7c7-48d89a0968cb | mp-1102093 | Move atoms at indices [6, 0] by [-0.031 0.756 -0.336] angstrom in the cif file. | data_image0
_chemical_formula_structural Eu4I8
_chemical_formula_sum "Eu4 I8"
_cell_length_a 4.88592076
_cell_length_b 8.42455016
_cell_length_c 12.371407
_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 Eu4I8
_chemical_formula_sum "Eu4 I8"
_cell_length_a 4.88592076
_cell_length_b 8.42455016
_cell_length_c 12.371407
_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 | 3fa878fc-baed-403d-ab44-c12d6141fb47 | mp-1517276 | Move atoms at indices [6, 3, 4, 2, 8] by [2.662 2.762 0.067] angstrom in the cif file. | data_image0
_chemical_formula_structural KPrYSbO6
_chemical_formula_sum "K1 Pr1 Y1 Sb1 O6"
_cell_length_a 5.91217212
_cell_length_b 5.91217212
_cell_length_c 5.91217212
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural KPrYSbO6
_chemical_formula_sum "K1 Pr1 Y1 Sb1 O6"
_cell_length_a 5.91217212
_cell_length_b 5.91217212
_cell_length_c 5.91217212
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... |
MoveSelectedAtomsAction | 69ce78dc-58c4-41c4-a7b6-e3443bd713c7 | mp-1095216 | Move atoms at indices [5, 1, 10, 6, 7] by [0.893 2.771 0.636] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd2As2O8
_chemical_formula_sum "Nd2 As2 O8"
_cell_length_a 6.84642559
_cell_length_b 6.84641035
_cell_length_c 6.846420990000001
_cell_angle_alpha 136.03322193000002
_cell_angle_beta 136.03328191999998
_cell_angle_gamma 63.928960810... | data_image0
_chemical_formula_structural Nd2As2O8
_chemical_formula_sum "Nd2 As2 O8"
_cell_length_a 6.84642559
_cell_length_b 6.84641035
_cell_length_c 6.846420990000001
_cell_angle_alpha 136.03322193000002
_cell_angle_beta 136.03328191999998
_cell_angle_gamma 63.928960810... |
MoveSelectedAtomsAction | 1a72c198-1d98-4504-9829-51370dec6085 | mp-695305 | Move atoms at indices [23, 67, 8, 33, 52, 26, 61, 41, 55, 64, 0, 28, 44, 35, 38, 27, 1, 49, 25, 51, 21, 4, 58, 68, 39, 10, 7, 36, 19, 13, 54, 47, 71, 29, 57, 46, 62, 45, 15, 63, 6, 43, 20, 59, 17, 3, 56, 37, 34, 22, 9, 32, 24, 16, 14, 69, 30, 40, 12, 65, 2, 60, 31, 53, 70, 18, 48, 5, 50, 66, 42, 11] by [ 4.155 -1.73 ... | data_image0
_chemical_formula_structural Na8C8S8O24F24
_chemical_formula_sum "Na8 C8 S8 O24 F24"
_cell_length_a 10.220978
_cell_length_b 11.03350717
_cell_length_c 11.33079768
_cell_angle_alpha 101.24554006
_cell_angle_beta 105.05376919
_cell_angle_gamma 110.72370447
_spa... | data_image0
_chemical_formula_structural Na8C8S8O24F24
_chemical_formula_sum "Na8 C8 S8 O24 F24"
_cell_length_a 10.220978
_cell_length_b 11.03350717
_cell_length_c 11.33079768
_cell_angle_alpha 101.24554006
_cell_angle_beta 105.05376919
_cell_angle_gamma 110.72370447
_spa... |
MoveSelectedAtomsAction | 27115829-04c9-45df-8c71-73b9600e9dc9 | mp-850204 | Move atoms at indices [3, 2, 6, 5, 0] by [ 0.561 -1.038 -1.156] angstrom in the cif file. | data_image0
_chemical_formula_structural Li5Co2O2F5
_chemical_formula_sum "Li5 Co2 O2 F5"
_cell_length_a 14.62900426
_cell_length_b 14.629004259999999
_cell_length_c 14.629004259999999
_cell_angle_alpha 168.43291069000003
_cell_angle_beta 168.43291069
_cell_angle_gamma 16.... | data_image0
_chemical_formula_structural Li5Co2O2F5
_chemical_formula_sum "Li5 Co2 O2 F5"
_cell_length_a 14.62900426
_cell_length_b 14.629004259999999
_cell_length_c 14.629004259999999
_cell_angle_alpha 168.43291069000003
_cell_angle_beta 168.43291069
_cell_angle_gamma 16.... |
MoveSelectedAtomsAction | 940f504f-5f0d-42ce-a3f8-afec7b1bf488 | mp-998613 | Move atoms at indices [7, 1, 4, 9, 0] by [ 1.923 -0.986 -1.504] angstrom in the cif file. | data_image0
_chemical_formula_structural K2Ge2Cl6
_chemical_formula_sum "K2 Ge2 Cl6"
_cell_length_a 7.53183696
_cell_length_b 7.53183688
_cell_length_c 7.53183649
_cell_angle_alpha 61.68388527
_cell_angle_beta 61.68387771
_cell_angle_gamma 61.68388726
_space_group_name_H-... | data_image0
_chemical_formula_structural K2Ge2Cl6
_chemical_formula_sum "K2 Ge2 Cl6"
_cell_length_a 7.53183696
_cell_length_b 7.53183688
_cell_length_c 7.53183649
_cell_angle_alpha 61.68388527
_cell_angle_beta 61.68387771
_cell_angle_gamma 61.68388726
_space_group_name_H-... |
MoveSelectedAtomsAction | c0313a53-3c04-4aa3-9228-7b99f3aaa938 | mp-1039951 | Move atoms at indices [45, 8, 16, 26, 36, 59, 31, 21, 32, 27, 3, 12, 48, 37, 51, 63, 39, 60, 11, 22, 54, 40, 57, 1, 47, 55, 14, 18, 17, 56, 9, 30, 25, 23, 5, 43, 58, 52] by [-1.412 -2.346 -0.934] angstrom in the cif file. | data_image0
_chemical_formula_structural RbCeMg30O32
_chemical_formula_sum "Rb1 Ce1 Mg30 O32"
_cell_length_a 8.696206
_cell_length_b 8.696206
_cell_length_c 8.784495
_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 RbCeMg30O32
_chemical_formula_sum "Rb1 Ce1 Mg30 O32"
_cell_length_a 8.696206
_cell_length_b 8.696206
_cell_length_c 8.784495
_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 | c3892d23-5b53-4372-bd42-f752b0d4fdca | mp-1192809 | Move atoms at indices [25, 22, 16, 13, 11, 5, 27, 10, 14, 3, 26, 12, 0, 24] by [-6.787 -2.847 0.88 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ag4N12O12
_chemical_formula_sum "Ag4 N12 O12"
_cell_length_a 6.029281
_cell_length_b 7.930658
_cell_length_c 10.435859
_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 Ag4N12O12
_chemical_formula_sum "Ag4 N12 O12"
_cell_length_a 6.029281
_cell_length_b 7.930658
_cell_length_c 10.435859
_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 | a49ca03e-7d92-4ad2-9127-88f9162d72e6 | mp-757738 | Move atoms at indices [22, 19, 55] by [-2.621 -0.844 2.269] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe19Co5O32
_chemical_formula_sum "Fe19 Co5 O32"
_cell_length_a 8.52149173
_cell_length_b 8.521491729999997
_cell_length_c 10.391043419999999
_cell_angle_alpha 66.16597597
_cell_angle_beta 66.16597596999999
_cell_angle_gamma 89.91677... | data_image0
_chemical_formula_structural Fe19Co5O32
_chemical_formula_sum "Fe19 Co5 O32"
_cell_length_a 8.52149173
_cell_length_b 8.521491729999997
_cell_length_c 10.391043419999999
_cell_angle_alpha 66.16597597
_cell_angle_beta 66.16597596999999
_cell_angle_gamma 89.91677... |
MoveSelectedAtomsAction | 50879148-d845-4db2-8a98-1220bd5a8abe | mp-726253 | Move atoms at indices [11, 13, 8, 10, 4, 14, 7, 2, 6] by [ 0.468 -1.677 1.563] angstrom in the cif file. | data_image0
_chemical_formula_structural RbLi3S2O9
_chemical_formula_sum "Rb1 Li3 S2 O9"
_cell_length_a 5.101571
_cell_length_b 5.4161261099999995
_cell_length_c 8.52957509
_cell_angle_alpha 105.94489701
_cell_angle_beta 89.59822111
_cell_angle_gamma 91.66368745
_space_gr... | data_image0
_chemical_formula_structural RbLi3S2O9
_chemical_formula_sum "Rb1 Li3 S2 O9"
_cell_length_a 5.101571
_cell_length_b 5.4161261099999995
_cell_length_c 8.52957509
_cell_angle_alpha 105.94489701
_cell_angle_beta 89.59822111
_cell_angle_gamma 91.66368745
_space_gr... |
MoveSelectedAtomsAction | f5d41160-c2ac-4075-a560-8097a77bcb17 | mp-684504 | Move atoms at indices [61, 50, 52, 9, 59, 38, 34, 31, 22, 74, 56, 41, 46, 48, 14, 57, 24, 5, 47, 63, 62, 13, 28, 71, 10, 11, 45, 7, 2, 30, 55, 51, 3, 44, 67, 6, 73, 18, 49, 79, 60, 0, 64, 68, 70] by [0.4 0.836 1.78 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Bi8P12O48
_chemical_formula_sum "Li12 Bi8 P12 O48"
_cell_length_a 9.233426
_cell_length_b 9.224183
_cell_length_c 16.03576682
_cell_angle_alpha 56.32682854
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li12Bi8P12O48
_chemical_formula_sum "Li12 Bi8 P12 O48"
_cell_length_a 9.233426
_cell_length_b 9.224183
_cell_length_c 16.03576682
_cell_angle_alpha 56.32682854
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | b4c1b2c8-831b-4df6-bfa9-2af254f33b5a | mp-1034797 | Move atoms at indices [10, 23, 9, 5, 3, 13, 1, 21, 6, 20, 17, 29] by [-0.578 -1.818 -2.403] angstrom in the cif file. | data_image0
_chemical_formula_structural RbNaMg14O15
_chemical_formula_sum "Rb1 Na1 Mg14 O15"
_cell_length_a 4.212568
_cell_length_b 8.376669
_cell_length_c 10.410615
_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 RbNaMg14O15
_chemical_formula_sum "Rb1 Na1 Mg14 O15"
_cell_length_a 4.212568
_cell_length_b 8.376669
_cell_length_c 10.410615
_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 | 19c0543f-38db-4af4-bee1-53337f1ddaa3 | mp-1229194 | Move atoms at indices [27, 19, 35, 29, 7, 14] by [ 0.646 -1.802 -2.279] angstrom in the cif file. | data_image0
_chemical_formula_structural Ag2Au2I8O24
_chemical_formula_sum "Ag2 Au2 I8 O24"
_cell_length_a 5.843613
_cell_length_b 8.120017
_cell_length_c 13.08254631
_cell_angle_alpha 72.73543432
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ag2Au2I8O24
_chemical_formula_sum "Ag2 Au2 I8 O24"
_cell_length_a 5.843613
_cell_length_b 8.120017
_cell_length_c 13.08254631
_cell_angle_alpha 72.73543432
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | 66e84f99-5476-43f3-bae3-4e1f71813431 | mp-1209759 | Move atoms at indices [3, 13, 4, 10, 8, 0, 7, 12] by [-0.112 -0.412 -0.811] angstrom in the cif file. | data_image0
_chemical_formula_structural Pr3Sb4Pt7
_chemical_formula_sum "Pr3 Sb4 Pt7"
_cell_length_a 4.475606
_cell_length_b 8.64494157
_cell_length_c 8.67361651
_cell_angle_alpha 70.36912792
_cell_angle_beta 75.04850978
_cell_angle_gamma 74.997753
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Pr3Sb4Pt7
_chemical_formula_sum "Pr3 Sb4 Pt7"
_cell_length_a 4.475606
_cell_length_b 8.64494157
_cell_length_c 8.67361651
_cell_angle_alpha 70.36912792
_cell_angle_beta 75.04850978
_cell_angle_gamma 74.997753
_space_group_name_H-M_... |
MoveSelectedAtomsAction | a64d3ac2-4479-46ea-8770-8c9681436e2b | mp-1209918 | Move atoms at indices [4, 14, 1, 0, 13, 12, 11, 7, 15, 2, 3, 6, 5, 8] by [-2.955 0.141 -1.116] angstrom in the cif file. | data_image0
_chemical_formula_structural NaYPd6O8
_chemical_formula_sum "Na1 Y1 Pd6 O8"
_cell_length_a 5.831788
_cell_length_b 5.831788
_cell_length_c 5.831788
_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 NaYPd6O8
_chemical_formula_sum "Na1 Y1 Pd6 O8"
_cell_length_a 5.831788
_cell_length_b 5.831788
_cell_length_c 5.831788
_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 | d97f8a0c-9938-41cf-baf2-0a3d2f4e9083 | mp-753161 | Move atoms at indices [26, 22, 2, 5, 1, 6, 12, 25, 3, 23, 10, 19, 0, 7, 15, 4, 13, 21, 20, 8, 16, 11, 24, 18, 27, 17] by [ 0.983 -2.748 -1.131] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8V4O8F8
_chemical_formula_sum "Li8 V4 O8 F8"
_cell_length_a 5.84904216
_cell_length_b 10.165467960000003
_cell_length_c 5.97356504
_cell_angle_alpha 106.60283058
_cell_angle_beta 60.71069946
_cell_angle_gamma 90.03257767
_space_g... | data_image0
_chemical_formula_structural Li8V4O8F8
_chemical_formula_sum "Li8 V4 O8 F8"
_cell_length_a 5.84904216
_cell_length_b 10.165467960000003
_cell_length_c 5.97356504
_cell_angle_alpha 106.60283058
_cell_angle_beta 60.71069946
_cell_angle_gamma 90.03257767
_space_g... |
MoveSelectedAtomsAction | f52e3af6-3a32-45a3-8452-84fe2d8ba96e | mp-1246029 | Move atoms at indices [13, 1, 16, 9, 3, 11, 0, 12, 17, 5, 10, 7, 4, 2, 8, 14, 6] by [ 0.383 -2.983 -2.774] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca6Cr4N8
_chemical_formula_sum "Ca6 Cr4 N8"
_cell_length_a 6.79220659
_cell_length_b 8.28451684
_cell_length_c 5.40157864
_cell_angle_alpha 90.00000163
_cell_angle_beta 92.17687209
_cell_angle_gamma 127.57899077
_space_group_name_H... | data_image0
_chemical_formula_structural Ca6Cr4N8
_chemical_formula_sum "Ca6 Cr4 N8"
_cell_length_a 6.79220659
_cell_length_b 8.28451684
_cell_length_c 5.40157864
_cell_angle_alpha 90.00000163
_cell_angle_beta 92.17687209
_cell_angle_gamma 127.57899077
_space_group_name_H... |
MoveSelectedAtomsAction | 4b9c1daa-ff38-43b3-a1b6-f1cc4f8b39e8 | mp-562239 | Move atoms at indices [7, 45, 57, 1, 27, 34, 30, 25] by [-1.254 1.605 1.681] angstrom in the cif file. | data_image0
_chemical_formula_structural V8P8Pb4O40
_chemical_formula_sum "V8 P8 Pb4 O40"
_cell_length_a 8.787201
_cell_length_b 5.283439
_cell_length_c 17.0558891
_cell_angle_alpha 88.9433945
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural V8P8Pb4O40
_chemical_formula_sum "V8 P8 Pb4 O40"
_cell_length_a 8.787201
_cell_length_b 5.283439
_cell_length_c 17.0558891
_cell_angle_alpha 88.9433945
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveSelectedAtomsAction | 1c9ad3b6-4dd3-40b9-9b61-c97b81412fa0 | mp-1174751 | Move atoms at indices [6, 21, 23, 1, 3, 27, 9, 20, 10, 4, 25, 19, 18] by [-2.985 -1.368 1.203] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 3.029203
_cell_length_b 7.79574031
_cell_length_c 11.14985522
_cell_angle_alpha 79.56287174
_cell_angle_beta 83.40665545000002
_cell_angle_gamma 83.34820798
_space... | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 3.029203
_cell_length_b 7.79574031
_cell_length_c 11.14985522
_cell_angle_alpha 79.56287174
_cell_angle_beta 83.40665545000002
_cell_angle_gamma 83.34820798
_space... |
MoveSelectedAtomsAction | 407fd427-da8c-46cf-844b-6b7da05aa022 | mp-1194859 | Move atoms at indices [28, 38, 15, 33, 9, 12, 7, 42, 17, 43, 24, 47, 20, 22, 26, 37, 46, 10, 23, 21, 3, 32, 19, 29, 4, 0] by [ 0.898 -2.565 3.371] angstrom in the cif file. | data_image0
_chemical_formula_structural Al4V4Te8O32
_chemical_formula_sum "Al4 V4 Te8 O32"
_cell_length_a 8.104843
_cell_length_b 4.919119
_cell_length_c 17.93012588
_cell_angle_alpha 90.0
_cell_angle_beta 112.6719878
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Al4V4Te8O32
_chemical_formula_sum "Al4 V4 Te8 O32"
_cell_length_a 8.104843
_cell_length_b 4.919119
_cell_length_c 17.93012588
_cell_angle_alpha 90.0
_cell_angle_beta 112.6719878
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | 7a327a58-4e6f-4329-89ae-b410f54c66ee | mp-24598 | Move atoms at indices [49, 7, 54, 14, 35, 27, 38, 0, 42, 31, 22, 62, 30, 15, 8] by [-0.625 2.532 0.427] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4V4P8H16O40
_chemical_formula_sum "Ba4 V4 P8 H16 O40"
_cell_length_a 6.493716
_cell_length_b 10.985219
_cell_length_c 11.56911505
_cell_angle_alpha 77.90288841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ba4V4P8H16O40
_chemical_formula_sum "Ba4 V4 P8 H16 O40"
_cell_length_a 6.493716
_cell_length_b 10.985219
_cell_length_c 11.56911505
_cell_angle_alpha 77.90288841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
MoveSelectedAtomsAction | 9101ee27-1beb-4fda-bea3-ef37fc585d59 | mp-1197379 | Move atoms at indices [15, 10, 25, 22, 32, 30, 29, 2, 12, 0, 8, 7, 35, 19, 3, 13, 17, 20, 11, 4, 18, 31, 9] by [-1.354 1.88 -3.202] angstrom in the cif file. | data_image0
_chemical_formula_structural Y2N6O28
_chemical_formula_sum "Y2 N6 O28"
_cell_length_a 6.444069
_cell_length_b 9.2270496
_cell_length_c 10.00954149
_cell_angle_alpha 64.65344233
_cell_angle_beta 84.6101484
_cell_angle_gamma 78.37398314999999
_space_group_name_H... | data_image0
_chemical_formula_structural Y2N6O28
_chemical_formula_sum "Y2 N6 O28"
_cell_length_a 6.444069
_cell_length_b 9.2270496
_cell_length_c 10.00954149
_cell_angle_alpha 64.65344233
_cell_angle_beta 84.6101484
_cell_angle_gamma 78.37398314999999
_space_group_name_H... |
MoveSelectedAtomsAction | c9f08283-adfb-4403-81bd-a39c2ce1f009 | mp-1044845 | Move atoms at indices [10, 31, 4, 13, 2, 42, 17, 25, 35, 44, 28, 1, 23, 29, 19, 0, 45, 30, 33, 27, 39, 8, 16, 7, 46, 21, 22, 37, 40, 9, 34, 12, 24] by [ 1.698 -0.113 0.285] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba6Al3Fe6F33
_chemical_formula_sum "Ba6 Al3 Fe6 F33"
_cell_length_a 7.44947064
_cell_length_b 7.44947064
_cell_length_c 14.536701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000565999999
_space_group_name_H... | data_image0
_chemical_formula_structural Ba6Al3Fe6F33
_chemical_formula_sum "Ba6 Al3 Fe6 F33"
_cell_length_a 7.44947064
_cell_length_b 7.44947064
_cell_length_c 14.536701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000565999999
_space_group_name_H... |
MoveSelectedAtomsAction | 1d57e0f0-ebf5-47ea-9e3c-a7edec9593e3 | mp-1209559 | Move atoms at indices [46, 41, 35, 70, 10, 54, 25, 55, 52, 1, 19, 16, 31, 8, 21, 60, 48, 37, 58] by [ 0.877 -0.413 1.54 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Sc2Zn20B16Rh36
_chemical_formula_sum "Sc2 Zn20 B16 Rh36"
_cell_length_a 17.978856
_cell_length_b 17.978856
_cell_length_c 2.894875
_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 Sc2Zn20B16Rh36
_chemical_formula_sum "Sc2 Zn20 B16 Rh36"
_cell_length_a 17.978856
_cell_length_b 17.978856
_cell_length_c 2.894875
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveSelectedAtomsAction | 46001740-e840-4995-bad9-7da628cf20ef | mp-1208371 | Move atoms at indices [11, 1, 17, 30, 0, 24, 34, 13, 31, 8, 32, 23, 12, 14, 2, 20, 16, 33, 9, 28, 4, 22, 6, 35, 3, 19, 26, 21, 25, 5] by [ 0.254 -1.602 -1.55 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Tl4N8Cl20O4
_chemical_formula_sum "Tl4 N8 Cl20 O4"
_cell_length_a 7.728223
_cell_length_b 10.918634
_cell_length_c 16.707943
_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 Tl4N8Cl20O4
_chemical_formula_sum "Tl4 N8 Cl20 O4"
_cell_length_a 7.728223
_cell_length_b 10.918634
_cell_length_c 16.707943
_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 | 4c3b514f-6d66-4901-9031-dd8aae3db03e | mp-779533 | Move atoms at indices [24, 1, 18, 13, 26, 10, 15, 14, 19, 12, 11, 25, 22, 27, 21, 17, 3, 9] by [-4.485 0.691 -1.892] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba12Br8O8
_chemical_formula_sum "Ba12 Br8 O8"
_cell_length_a 6.367137
_cell_length_b 7.584598
_cell_length_c 19.738796
_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 Ba12Br8O8
_chemical_formula_sum "Ba12 Br8 O8"
_cell_length_a 6.367137
_cell_length_b 7.584598
_cell_length_c 19.738796
_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 | 82759d17-4ec3-43ed-8b4c-5b58e6ae460a | mp-1202068 | Move atoms at indices [36, 9, 33, 27, 10, 32, 18, 28, 37] by [ 0.617 -0.35 0.119] angstrom in the cif file. | data_image0
_chemical_formula_structural Pd2C8S8I4N16
_chemical_formula_sum "Pd2 C8 S8 I4 N16"
_cell_length_a 9.834666
_cell_length_b 8.60705372
_cell_length_c 15.214518379999998
_cell_angle_alpha 57.278849029999996
_cell_angle_beta 71.14343923
_cell_angle_gamma 55.1580721... | data_image0
_chemical_formula_structural Pd2C8S8I4N16
_chemical_formula_sum "Pd2 C8 S8 I4 N16"
_cell_length_a 9.834666
_cell_length_b 8.60705372
_cell_length_c 15.214518379999998
_cell_angle_alpha 57.278849029999996
_cell_angle_beta 71.14343923
_cell_angle_gamma 55.1580721... |
MoveSelectedAtomsAction | 2b006b68-75f9-456b-99e6-c77fba9fe5b5 | mp-1211531 | Move atoms at indices [8, 5, 4] by [ 2.156 1.095 -0.906] angstrom in the cif file. | data_image0
_chemical_formula_structural Li3TaF6
_chemical_formula_sum "Li3 Ta1 F6"
_cell_length_a 5.84410831
_cell_length_b 6.311450130000001
_cell_length_c 7.63450276
_cell_angle_alpha 82.69135836000001
_cell_angle_beta 139.93362222000002
_cell_angle_gamma 118.40085885
... | data_image0
_chemical_formula_structural Li3TaF6
_chemical_formula_sum "Li3 Ta1 F6"
_cell_length_a 5.84410831
_cell_length_b 6.311450130000001
_cell_length_c 7.63450276
_cell_angle_alpha 82.69135836000001
_cell_angle_beta 139.93362222000002
_cell_angle_gamma 118.40085885
... |
MoveSelectedAtomsAction | f4d58415-e88d-4213-9c23-006ec0e29a10 | mp-570105 | Move atoms at indices [4, 21, 23, 17, 18, 2, 8, 12, 16, 0] by [ 1.278 -1.818 -0.888] angstrom in the cif file. | data_image0
_chemical_formula_structural K4Pt2C8I4N8
_chemical_formula_sum "K4 Pt2 C8 I4 N8"
_cell_length_a 9.506457
_cell_length_b 7.41999
_cell_length_c 9.06048503
_cell_angle_alpha 72.44232065
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural K4Pt2C8I4N8
_chemical_formula_sum "K4 Pt2 C8 I4 N8"
_cell_length_a 9.506457
_cell_length_b 7.41999
_cell_length_c 9.06048503
_cell_angle_alpha 72.44232065
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveSelectedAtomsAction | 24d6c51f-2f2a-4434-948f-3c834912fc76 | mp-1213837 | Move atoms at indices [5, 10] by [-3.097 -3.816 1.196] angstrom in the cif file. | data_image0
_chemical_formula_structural Ce2Hf2F14
_chemical_formula_sum "Ce2 Hf2 F14"
_cell_length_a 5.82544217
_cell_length_b 6.23507996
_cell_length_c 8.43986948
_cell_angle_alpha 102.12410435
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ce2Hf2F14
_chemical_formula_sum "Ce2 Hf2 F14"
_cell_length_a 5.82544217
_cell_length_b 6.23507996
_cell_length_c 8.43986948
_cell_angle_alpha 102.12410435
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveSelectedAtomsAction | f727fe1f-f005-427d-a08a-c99b2acd6f4f | mp-1046426 | Move atoms at indices [21, 17, 5, 0, 23, 13, 18, 24, 22, 3, 7, 2, 12, 14, 15, 25, 11, 16] by [-0.49 -1.25 -1.616] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2V2Zn2P4O16
_chemical_formula_sum "Sr2 V2 Zn2 P4 O16"
_cell_length_a 5.53321927
_cell_length_b 7.043239259999999
_cell_length_c 9.522283399999997
_cell_angle_alpha 110.93407687000001
_cell_angle_beta 101.57921933
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Sr2V2Zn2P4O16
_chemical_formula_sum "Sr2 V2 Zn2 P4 O16"
_cell_length_a 5.53321927
_cell_length_b 7.043239259999999
_cell_length_c 9.522283399999997
_cell_angle_alpha 110.93407687000001
_cell_angle_beta 101.57921933
_cell_angle_gamma ... |
MoveSelectedAtomsAction | 10e6b680-5b3c-4d5c-b12d-95551cc6fc05 | mp-1208448 | Move atoms at indices [9, 1, 0, 12, 14, 3, 15, 4, 6, 7, 10, 16] by [-1.477 1.088 1.437] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb4Ga12Ag
_chemical_formula_sum "Tb4 Ga12 Ag1"
_cell_length_a 7.47914003
_cell_length_b 7.47914121
_cell_length_c 7.47914121
_cell_angle_alpha 109.47123338999998
_cell_angle_beta 109.47121744
_cell_angle_gamma 109.47121744
_space_g... | data_image0
_chemical_formula_structural Tb4Ga12Ag
_chemical_formula_sum "Tb4 Ga12 Ag1"
_cell_length_a 7.47914003
_cell_length_b 7.47914121
_cell_length_c 7.47914121
_cell_angle_alpha 109.47123338999998
_cell_angle_beta 109.47121744
_cell_angle_gamma 109.47121744
_space_g... |
MoveSelectedAtomsAction | 319f600a-e860-4940-a199-8a17896917db | mp-758121 | Move atoms at indices [5, 20, 15, 8, 19, 21, 16, 13, 14] by [-0.797 -1.377 2.015] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe4C6O18
_chemical_formula_sum "Fe4 C6 O18"
_cell_length_a 7.63148901
_cell_length_b 7.63148901
_cell_length_c 7.63148831
_cell_angle_alpha 109.07792927
_cell_angle_beta 109.07792927
_cell_angle_gamma 109.07792998
_space_group_name... | data_image0
_chemical_formula_structural Fe4C6O18
_chemical_formula_sum "Fe4 C6 O18"
_cell_length_a 7.63148901
_cell_length_b 7.63148901
_cell_length_c 7.63148831
_cell_angle_alpha 109.07792927
_cell_angle_beta 109.07792927
_cell_angle_gamma 109.07792998
_space_group_name... |
MoveSelectedAtomsAction | 5cafa71f-a2e4-4227-b76b-fcf6f06f789a | mp-1211422 | Move atoms at indices [7, 8, 6, 5, 1, 3] by [ 2.076 -1.187 3.118] angstrom in the cif file. | data_image0
_chemical_formula_structural K2Pt2Br6N2
_chemical_formula_sum "K2 Pt2 Br6 N2"
_cell_length_a 9.58838848
_cell_length_b 9.58838848
_cell_length_c 9.787549
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 152.24681613
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural K2Pt2Br6N2
_chemical_formula_sum "K2 Pt2 Br6 N2"
_cell_length_a 9.58838848
_cell_length_b 9.58838848
_cell_length_c 9.787549
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 152.24681613
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | ac32baac-9b55-4450-b92c-e1668c048c97 | mp-532443 | Move atoms at indices [25, 41, 10, 40, 42, 31, 46, 28, 8, 47, 33, 23, 3, 48, 1, 37, 2, 49, 16, 22, 30, 18, 11, 21, 39, 29, 35, 51, 32, 15, 12] by [ 0.539 -0.059 3.989] angstrom in the cif file. | data_image0
_chemical_formula_structural Li10V10Cl32
_chemical_formula_sum "Li10 V10 Cl32"
_cell_length_a 12.74943518
_cell_length_b 12.74943518
_cell_length_c 7.362862
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 109.54370111000001
_space_group_name_H-M... | data_image0
_chemical_formula_structural Li10V10Cl32
_chemical_formula_sum "Li10 V10 Cl32"
_cell_length_a 12.74943518
_cell_length_b 12.74943518
_cell_length_c 7.362862
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 109.54370111000001
_space_group_name_H-M... |
MoveSelectedAtomsAction | 7fb2ca75-f692-4327-a496-55417e0ed4e4 | mp-1195795 | Move atoms at indices [14, 3, 0, 31, 23, 21, 20, 10, 19, 34, 9, 11, 35, 33, 18, 15] by [-1.166 -0.659 -0.167] angstrom in the cif file. | data_image0
_chemical_formula_structural La4Y11S22
_chemical_formula_sum "La4 Y11 S22"
_cell_length_a 19.85295513
_cell_length_b 19.85295513
_cell_length_c 11.44709179
_cell_angle_alpha 88.44478713
_cell_angle_beta 88.44478713
_cell_angle_gamma 11.543549940000046
_space_g... | data_image0
_chemical_formula_structural La4Y11S22
_chemical_formula_sum "La4 Y11 S22"
_cell_length_a 19.85295513
_cell_length_b 19.85295513
_cell_length_c 11.44709179
_cell_angle_alpha 88.44478713
_cell_angle_beta 88.44478713
_cell_angle_gamma 11.543549940000046
_space_g... |
MoveSelectedAtomsAction | 2228d3d7-3ae0-48d0-9cc3-b4335bd0a7e0 | mp-1245465 | Move atoms at indices [4, 17, 16, 12, 5, 0, 7, 15, 11, 1, 9, 14, 13, 19, 3] by [-0.029 1.122 4.028] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb12Mo2N8
_chemical_formula_sum "Rb12 Mo2 N8"
_cell_length_a 8.548138
_cell_length_b 8.548138
_cell_length_c 7.221961
_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 Rb12Mo2N8
_chemical_formula_sum "Rb12 Mo2 N8"
_cell_length_a 8.548138
_cell_length_b 8.548138
_cell_length_c 7.221961
_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 | b7391afa-98b9-4ad9-8c37-5cdd184096fe | mp-758815 | Move atoms at indices [33, 48, 18, 4, 31, 44, 1, 3, 56, 32, 75, 5, 70, 9, 46, 43, 26, 60, 19, 30, 7, 39, 38, 68, 36, 71, 65, 29, 64, 40, 34, 27, 57, 35, 74, 8, 69, 63, 73, 21, 55, 17, 66, 67, 24, 23, 37, 20, 41, 2, 50, 52, 11, 49, 51, 42, 54, 72, 62, 59, 58, 6] by [-0.546 0.272 -0.916] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Mn4P16O48
_chemical_formula_sum "Li8 Mn4 P16 O48"
_cell_length_a 11.142329
_cell_length_b 7.490572
_cell_length_c 13.21386225
_cell_angle_alpha 74.52130082
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li8Mn4P16O48
_chemical_formula_sum "Li8 Mn4 P16 O48"
_cell_length_a 11.142329
_cell_length_b 7.490572
_cell_length_c 13.21386225
_cell_angle_alpha 74.52130082
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | d4cabe7d-448c-43a2-a650-040045970e76 | mp-1200323 | Move atoms at indices [48, 41, 34, 9, 56, 13, 32, 1, 24, 46, 10, 7, 38, 30, 37, 15, 36, 44, 26, 16, 45, 33, 8, 0, 19, 59, 39, 14, 4, 49, 21, 40, 50, 2, 53, 35, 11, 27, 42] by [ 0.872 0.265 -0.83 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Na12Nb4As8O36
_chemical_formula_sum "Na12 Nb4 As8 O36"
_cell_length_a 8.46195509
_cell_length_b 9.67605056
_cell_length_c 10.606199740000001
_cell_angle_alpha 71.25715089999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... | data_image0
_chemical_formula_structural Na12Nb4As8O36
_chemical_formula_sum "Na12 Nb4 As8 O36"
_cell_length_a 8.46195509
_cell_length_b 9.67605056
_cell_length_c 10.606199740000001
_cell_angle_alpha 71.25715089999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
MoveSelectedAtomsAction | ec3fda93-45d3-4eaa-b6e0-972d793d12eb | mp-1185759 | Move atoms at indices [19, 18, 23, 12, 10, 15, 24, 2, 5, 13, 25, 26, 21, 9, 6] by [0.119 0.633 1.105] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg17Al11Tl
_chemical_formula_sum "Mg17 Al11 Tl1"
_cell_length_a 9.17786347
_cell_length_b 9.177863469999998
_cell_length_c 9.2046195
_cell_angle_alpha 70.5694587
_cell_angle_beta 70.5694587
_cell_angle_gamma 109.11134154
_space_gro... | data_image0
_chemical_formula_structural Mg17Al11Tl
_chemical_formula_sum "Mg17 Al11 Tl1"
_cell_length_a 9.17786347
_cell_length_b 9.177863469999998
_cell_length_c 9.2046195
_cell_angle_alpha 70.5694587
_cell_angle_beta 70.5694587
_cell_angle_gamma 109.11134154
_space_gro... |
MoveSelectedAtomsAction | 52ea564f-c07e-400b-a162-bd44feb30687 | mp-22417 | Move atoms at indices [19, 8, 11, 6, 10, 27, 12, 25, 21, 13, 24, 9, 3, 7, 15, 22, 14, 26, 23, 20, 18, 16, 4, 2, 0, 17] by [-2.026 3.663 -0.384] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Ni4P4O16
_chemical_formula_sum "Li4 Ni4 P4 O16"
_cell_length_a 4.732146
_cell_length_b 5.926672
_cell_length_c 10.14381
_cell_angle_alpha 89.99885199
_cell_angle_beta 89.99866273999999
_cell_angle_gamma 90.00273053
_space_group_... | data_image0
_chemical_formula_structural Li4Ni4P4O16
_chemical_formula_sum "Li4 Ni4 P4 O16"
_cell_length_a 4.732146
_cell_length_b 5.926672
_cell_length_c 10.14381
_cell_angle_alpha 89.99885199
_cell_angle_beta 89.99866273999999
_cell_angle_gamma 90.00273053
_space_group_... |
MoveSelectedAtomsAction | d2fadb3a-93d4-461f-a81f-6664fd0f988d | mp-532718 | Move atoms at indices [30, 32, 33, 4, 35, 1, 54, 46, 9, 39, 37, 3, 2, 22, 44, 48, 24, 43, 23, 18, 49, 42, 19] by [-0.664 -0.696 1.81 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca6Nd6Mn12O36
_chemical_formula_sum "Ca6 Nd6 Mn12 O36"
_cell_length_a 16.297216
_cell_length_b 5.473793
_cell_length_c 7.702508
_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 Ca6Nd6Mn12O36
_chemical_formula_sum "Ca6 Nd6 Mn12 O36"
_cell_length_a 16.297216
_cell_length_b 5.473793
_cell_length_c 7.702508
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveSelectedAtomsAction | 7d078ed8-e3dc-4e93-ba97-87f389b2bc33 | mp-559593 | Move atoms at indices [25, 11, 27, 28, 17, 10, 18, 22, 19, 21, 0, 2] by [ 1.384 -2.779 -0.597] angstrom in the cif file. | data_image0
_chemical_formula_structural P3S9N15F6
_chemical_formula_sum "P3 S9 N15 F6"
_cell_length_a 11.52852389
_cell_length_b 11.52852389
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_angle_beta 117.55470366999998
_cell_angle_gamma 117.55470631999... | data_image0
_chemical_formula_structural P3S9N15F6
_chemical_formula_sum "P3 S9 N15 F6"
_cell_length_a 11.52852389
_cell_length_b 11.52852389
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_angle_beta 117.55470366999998
_cell_angle_gamma 117.55470631999... |
MoveSelectedAtomsAction | a6fa3d7f-aa2a-432d-9638-7cd41b2fb4a4 | mp-557667 | Move atoms at indices [46, 21, 13, 52, 15, 43] by [-3.93 -2.942 -0.089] angstrom in the cif file. | data_image0
_chemical_formula_structural Ge9Pb15O33
_chemical_formula_sum "Ge9 Pb15 O33"
_cell_length_a 10.41003186
_cell_length_b 10.410031859999998
_cell_length_c 10.863788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999909000002
_space_group_na... | data_image0
_chemical_formula_structural Ge9Pb15O33
_chemical_formula_sum "Ge9 Pb15 O33"
_cell_length_a 10.41003186
_cell_length_b 10.410031859999998
_cell_length_c 10.863788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999909000002
_space_group_na... |
MoveSelectedAtomsAction | 6407e8da-de07-4d2c-97ff-c48463cc4613 | mp-27382 | Move atoms at indices [26, 31, 23, 53, 19, 46, 22, 1] by [-0.379 0.411 2.273] angstrom in the cif file. | data_image0
_chemical_formula_structural U8Tl8F40
_chemical_formula_sum "U8 Tl8 F40"
_cell_length_a 13.7278367
_cell_length_b 8.20459056
_cell_length_c 8.2607243
_cell_angle_alpha 78.05179443
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural U8Tl8F40
_chemical_formula_sum "U8 Tl8 F40"
_cell_length_a 13.7278367
_cell_length_b 8.20459056
_cell_length_c 8.2607243
_cell_angle_alpha 78.05179443
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveSelectedAtomsAction | 6ebc5893-99d9-4cce-b3c5-380a13d7b83d | mp-1045679 | Move atoms at indices [10, 14, 8] by [ 2.745 -4.42 0.261] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb4Te2O16
_chemical_formula_sum "Nb4 Te2 O16"
_cell_length_a 10.48859282
_cell_length_b 10.48859282
_cell_length_c 5.25864415
_cell_angle_alpha 87.00891937999998
_cell_angle_beta 87.00891937999998
_cell_angle_gamma 34.35651596
_spa... | data_image0
_chemical_formula_structural Nb4Te2O16
_chemical_formula_sum "Nb4 Te2 O16"
_cell_length_a 10.48859282
_cell_length_b 10.48859282
_cell_length_c 5.25864415
_cell_angle_alpha 87.00891937999998
_cell_angle_beta 87.00891937999998
_cell_angle_gamma 34.35651596
_spa... |
MoveSelectedAtomsAction | a1627e54-a6c8-4d1e-b9b5-8ca7d79a1ea3 | mp-6215 | Move atoms at indices [7, 2, 9, 11, 6, 10] by [-0.37 1.4 1.514] angstrom in the cif file. | data_image0
_chemical_formula_structural Ag2Hg2As2S6
_chemical_formula_sum "Ag2 Hg2 As2 S6"
_cell_length_a 6.59009171
_cell_length_b 6.59009171
_cell_length_c 7.85117914
_cell_angle_alpha 78.09616262
_cell_angle_beta 78.09616262
_cell_angle_gamma 118.91525133
_space_group... | data_image0
_chemical_formula_structural Ag2Hg2As2S6
_chemical_formula_sum "Ag2 Hg2 As2 S6"
_cell_length_a 6.59009171
_cell_length_b 6.59009171
_cell_length_c 7.85117914
_cell_angle_alpha 78.09616262
_cell_angle_beta 78.09616262
_cell_angle_gamma 118.91525133
_space_group... |
MoveSelectedAtomsAction | aa74b8ad-40f9-4806-b7bb-f8b1eb4791e6 | mp-1177575 | Move atoms at indices [2, 5, 14, 8, 9, 3, 6, 13] by [-2.977 -0.497 -1.388] angstrom in the cif file. | data_image0
_chemical_formula_structural Li3NbFe4O8
_chemical_formula_sum "Li3 Nb1 Fe4 O8"
_cell_length_a 6.0872174
_cell_length_b 6.0872174
_cell_length_c 6.240621610000001
_cell_angle_alpha 59.60408362
_cell_angle_beta 59.60408362
_cell_angle_gamma 61.655735250000006
_s... | data_image0
_chemical_formula_structural Li3NbFe4O8
_chemical_formula_sum "Li3 Nb1 Fe4 O8"
_cell_length_a 6.0872174
_cell_length_b 6.0872174
_cell_length_c 6.240621610000001
_cell_angle_alpha 59.60408362
_cell_angle_beta 59.60408362
_cell_angle_gamma 61.655735250000006
_s... |
MoveSelectedAtomsAction | 5da6cbcb-03cd-4f61-8cff-e01473b1cb91 | mp-757246 | Move atoms at indices [22, 8, 3, 15, 17, 25, 27, 5, 21, 24, 11, 13, 0, 18, 12, 6] by [-1.425 -0.224 2.304] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Ti6V2O16
_chemical_formula_sum "Li4 Ti6 V2 O16"
_cell_length_a 5.98040853
_cell_length_b 6.07271908
_cell_length_c 8.497984319999999
_cell_angle_alpha 88.70740442000002
_cell_angle_beta 90.00716979
_cell_angle_gamma 89.68097839
... | data_image0
_chemical_formula_structural Li4Ti6V2O16
_chemical_formula_sum "Li4 Ti6 V2 O16"
_cell_length_a 5.98040853
_cell_length_b 6.07271908
_cell_length_c 8.497984319999999
_cell_angle_alpha 88.70740442000002
_cell_angle_beta 90.00716979
_cell_angle_gamma 89.68097839
... |
MoveSelectedAtomsAction | 7db4416c-d1d5-4758-97d8-61a47d952a61 | mp-1029918 | Move atoms at indices [58, 31, 13, 35, 61, 10, 83, 43, 55, 59, 50, 23, 73, 45, 64, 42, 82, 38, 32, 76, 26, 67, 74, 9, 5, 3, 6, 66, 25, 79, 0, 24, 78, 40, 16, 53, 41, 75, 77, 44, 49, 48, 80, 22, 1, 37, 57, 29, 56, 46, 20, 33, 36, 27, 54] by [-1.082 2.521 -0.532] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba12V24N48
_chemical_formula_sum "Ba12 V24 N48"
_cell_length_a 10.936076
_cell_length_b 10.936076
_cell_length_c 10.936076
_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 Ba12V24N48
_chemical_formula_sum "Ba12 V24 N48"
_cell_length_a 10.936076
_cell_length_b 10.936076
_cell_length_c 10.936076
_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 | d3280007-8ffb-4a7a-8278-1a3929abcfee | mp-19408 | Move atoms at indices [18, 3] by [-1.288 3.246 -2.651] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V8O20
_chemical_formula_sum "Li4 V8 O20"
_cell_length_a 3.642142
_cell_length_b 9.89108
_cell_length_c 11.118627
_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 Li4V8O20
_chemical_formula_sum "Li4 V8 O20"
_cell_length_a 3.642142
_cell_length_b 9.89108
_cell_length_c 11.118627
_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 | b8208e57-d3cd-4f7e-856a-c37da255f915 | mp-661715 | Move atoms at indices [4, 5, 6, 17, 11, 12, 13, 9, 3, 7, 16, 14, 8, 0, 2, 10] by [ 1.612 -1.154 1.04 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti2S2Cl12O2
_chemical_formula_sum "Ti2 S2 Cl12 O2"
_cell_length_a 6.632096
_cell_length_b 8.1887806
_cell_length_c 11.22515027
_cell_angle_alpha 108.50382951
_cell_angle_beta 91.38155874
_cell_angle_gamma 113.71642866
_space_group_... | data_image0
_chemical_formula_structural Ti2S2Cl12O2
_chemical_formula_sum "Ti2 S2 Cl12 O2"
_cell_length_a 6.632096
_cell_length_b 8.1887806
_cell_length_c 11.22515027
_cell_angle_alpha 108.50382951
_cell_angle_beta 91.38155874
_cell_angle_gamma 113.71642866
_space_group_... |
MoveSelectedAtomsAction | 0289cc06-d3c9-46ad-b718-aa64b8acd605 | mp-1182382 | Move atoms at indices [14, 4, 10, 20, 9, 8, 17, 21, 16, 19, 6, 15, 13, 11, 0, 3, 12, 5] by [-0.832 2.635 -1.708] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2O20
_chemical_formula_sum "Ca2 O20"
_cell_length_a 5.608848
_cell_length_b 5.608848
_cell_length_c 8.40503
_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_nu... | data_image0
_chemical_formula_structural Ca2O20
_chemical_formula_sum "Ca2 O20"
_cell_length_a 5.608848
_cell_length_b 5.608848
_cell_length_c 8.40503
_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_nu... |
MoveSelectedAtomsAction | 6829c9e8-4e88-45ed-86d1-5c1274af240a | mp-1228061 | Move atoms at indices [11, 9, 6] by [-5.334 -2.047 2.4 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Cu2IBrO4
_chemical_formula_sum "Ba4 Cu2 I1 Br1 O4"
_cell_length_a 4.387598
_cell_length_b 7.597728
_cell_length_c 10.402026439999998
_cell_angle_alpha 75.8020847
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Ba4Cu2IBrO4
_chemical_formula_sum "Ba4 Cu2 I1 Br1 O4"
_cell_length_a 4.387598
_cell_length_b 7.597728
_cell_length_c 10.402026439999998
_cell_angle_alpha 75.8020847
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
MoveSelectedAtomsAction | 21aadf6a-d90b-4f2c-a5dc-024b0f684370 | mp-24674 | Move atoms at indices [32, 30, 7, 36, 3, 13, 21, 15, 37, 10, 5, 19, 1, 26, 24, 27, 2, 22, 0, 16, 9, 33, 8] by [-1.118 -0.887 0.957] angstrom in the cif file. | data_image0
_chemical_formula_structural Be6P4H8O20
_chemical_formula_sum "Be6 P4 H8 O20"
_cell_length_a 8.40993268
_cell_length_b 8.40993268
_cell_length_c 9.64631995
_cell_angle_alpha 85.36159719
_cell_angle_beta 85.36159719
_cell_angle_gamma 31.91254212000001
_space_gr... | data_image0
_chemical_formula_structural Be6P4H8O20
_chemical_formula_sum "Be6 P4 H8 O20"
_cell_length_a 8.40993268
_cell_length_b 8.40993268
_cell_length_c 9.64631995
_cell_angle_alpha 85.36159719
_cell_angle_beta 85.36159719
_cell_angle_gamma 31.91254212000001
_space_gr... |
MoveSelectedAtomsAction | c633b2c1-7321-4b66-8121-011d2c713ac0 | mp-1213937 | Move atoms at indices [5, 27, 9, 10, 24, 26, 14, 32, 0, 22, 31, 38, 11, 19, 30, 7, 1, 6, 17, 3, 16, 15, 13, 37, 34, 8, 23, 33, 29, 20, 2, 35, 21, 4, 28, 25, 36] by [1.091 2.501 2.596] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr10Cu2Ge4O24
_chemical_formula_sum "Cr10 Cu2 Ge4 O24"
_cell_length_a 9.61180683
_cell_length_b 9.61180683
_cell_length_c 6.050288
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 127.79372469000002
_space_group_name_... | data_image0
_chemical_formula_structural Cr10Cu2Ge4O24
_chemical_formula_sum "Cr10 Cu2 Ge4 O24"
_cell_length_a 9.61180683
_cell_length_b 9.61180683
_cell_length_c 6.050288
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 127.79372469000002
_space_group_name_... |
MoveSelectedAtomsAction | 31597e5e-c5be-4deb-a2b8-104051102676 | mp-1112637 | Move atoms at indices [2] by [0.439 1.546 1.331] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2TlCuF6
_chemical_formula_sum "Cs2 Tl1 Cu1 F6"
_cell_length_a 6.35045246
_cell_length_b 6.3504524600000005
_cell_length_c 6.35045246
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999... | data_image0
_chemical_formula_structural Cs2TlCuF6
_chemical_formula_sum "Cs2 Tl1 Cu1 F6"
_cell_length_a 6.35045246
_cell_length_b 6.3504524600000005
_cell_length_c 6.35045246
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999... |
MoveSelectedAtomsAction | ebb8a2d8-0b2a-4264-9f4a-4b53e7da404d | mp-1245065 | Move atoms at indices [81, 40, 48, 17, 4, 27, 50, 47, 66, 36, 5, 73, 57, 46, 89, 95, 94, 18, 41, 42, 75, 59, 15, 0, 34, 54, 74, 72, 32, 90, 70, 68, 35, 87, 84, 33, 13, 38, 65, 97, 58, 52, 79, 12, 82, 96, 14, 2, 60, 91, 1, 45, 9, 19, 62, 8, 85, 77, 39, 43, 55, 37, 6, 11, 67, 83, 61, 20, 44, 98, 78, 51, 99, 88, 3, 64, 80... | data_image0
_chemical_formula_structural Al40O60
_chemical_formula_sum "Al40 O60"
_cell_length_a 10.70168287
_cell_length_b 10.210161070000002
_cell_length_c 10.265134760000002
_cell_angle_alpha 94.11714713
_cell_angle_beta 87.6274472
_cell_angle_gamma 99.61043361999998
_... | data_image0
_chemical_formula_structural Al40O60
_chemical_formula_sum "Al40 O60"
_cell_length_a 10.70168287
_cell_length_b 10.210161070000002
_cell_length_c 10.265134760000002
_cell_angle_alpha 94.11714713
_cell_angle_beta 87.6274472
_cell_angle_gamma 99.61043361999998
_... |
MoveSelectedAtomsAction | dbab45f9-46e0-457c-8774-19ae4e347ee9 | mp-769928 | Move atoms at indices [3, 9, 14, 8, 10, 15, 11, 1, 4, 13, 6, 2, 12, 0, 7] by [3.744 0.294 1.777] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4NbV3O8
_chemical_formula_sum "Li4 Nb1 V3 O8"
_cell_length_a 10.57866778
_cell_length_b 10.59538098
_cell_length_c 14.99564377
_cell_angle_alpha 19.144615920000003
_cell_angle_beta 19.151666330000012
_cell_angle_gamma 33.044523140... | data_image0
_chemical_formula_structural Li4NbV3O8
_chemical_formula_sum "Li4 Nb1 V3 O8"
_cell_length_a 10.57866778
_cell_length_b 10.59538098
_cell_length_c 14.99564377
_cell_angle_alpha 19.144615920000003
_cell_angle_beta 19.151666330000012
_cell_angle_gamma 33.044523140... |
MoveSelectedAtomsAction | 944dbc1b-4889-4c5c-97c9-e97bb2beb500 | mp-26845 | Move atoms at indices [28, 29, 21, 12, 33, 14, 1, 8, 7, 22, 10, 17, 5, 6, 38, 3, 0, 35, 4, 37, 20, 31, 36, 32, 30, 18, 19, 16, 9, 23, 2, 13, 27, 11] by [0.33 0.832 1.549] angstrom in the cif file. | data_image0
_chemical_formula_structural Li6Mn4P6O24
_chemical_formula_sum "Li6 Mn4 P6 O24"
_cell_length_a 8.81995309
_cell_length_b 8.81995309
_cell_length_c 11.515695880000003
_cell_angle_alpha 45.84620983999999
_cell_angle_beta 45.84620983999999
_cell_angle_gamma 60.270... | data_image0
_chemical_formula_structural Li6Mn4P6O24
_chemical_formula_sum "Li6 Mn4 P6 O24"
_cell_length_a 8.81995309
_cell_length_b 8.81995309
_cell_length_c 11.515695880000003
_cell_angle_alpha 45.84620983999999
_cell_angle_beta 45.84620983999999
_cell_angle_gamma 60.270... |
MoveSelectedAtomsAction | b8d4ec41-e923-4c07-912c-061dfa147f76 | mp-1208346 | Move atoms at indices [8, 2, 3, 16, 12, 11, 0, 9, 22, 20, 21, 17, 4, 19, 15, 6, 13, 1, 5, 14] by [-1.114 1.108 1.146] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb4Fe4B16
_chemical_formula_sum "Tb4 Fe4 B16"
_cell_length_a 3.42877021
_cell_length_b 5.90351878
_cell_length_c 11.43350165
_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 Tb4Fe4B16
_chemical_formula_sum "Tb4 Fe4 B16"
_cell_length_a 3.42877021
_cell_length_b 5.90351878
_cell_length_c 11.43350165
_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 | dbaa1dad-c61e-4d16-832c-331faaaecd66 | mp-1369271 | Move atoms at indices [3, 18, 17, 15, 10, 13, 9, 8, 7, 0, 5, 4, 14, 16, 12, 6] by [-0.204 -4.64 -3.385] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti2Zn4Sb2O12
_chemical_formula_sum "Ti2 Zn4 Sb2 O12"
_cell_length_a 7.86177
_cell_length_b 5.296439
_cell_length_c 5.34563952
_cell_angle_alpha 88.86624839
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ti2Zn4Sb2O12
_chemical_formula_sum "Ti2 Zn4 Sb2 O12"
_cell_length_a 7.86177
_cell_length_b 5.296439
_cell_length_c 5.34563952
_cell_angle_alpha 88.86624839
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | da48e7a7-33fe-43d1-a77d-87597b7f9aa5 | mp-2217604 | Move atoms at indices [0] by [ 0.328 -2.935 -0.223] angstrom in the cif file. | data_image0
_chemical_formula_structural La2MgNi2O6
_chemical_formula_sum "La2 Mg1 Ni2 O6"
_cell_length_a 6.56906692
_cell_length_b 5.819623720000001
_cell_length_c 5.53164284
_cell_angle_alpha 68.87395837
_cell_angle_beta 65.37223024
_cell_angle_gamma 49.43208672000001
_... | data_image0
_chemical_formula_structural La2MgNi2O6
_chemical_formula_sum "La2 Mg1 Ni2 O6"
_cell_length_a 6.56906692
_cell_length_b 5.819623720000001
_cell_length_c 5.53164284
_cell_angle_alpha 68.87395837
_cell_angle_beta 65.37223024
_cell_angle_gamma 49.43208672000001
_... |
MoveSelectedAtomsAction | 77efece8-fb93-41b1-9d37-e6e02e113dfc | mp-722271 | Move atoms at indices [0, 21, 44, 35, 24, 49, 29, 10, 20, 3, 18, 15, 25, 12, 5, 36, 39, 47, 2, 17] by [-2.988 0.439 1.157] angstrom in the cif file. | data_image0
_chemical_formula_structural H28Ru2S4N8O12
_chemical_formula_sum "H28 Ru2 S4 N8 O12"
_cell_length_a 7.091792
_cell_length_b 6.315075
_cell_length_c 11.76688332
_cell_angle_alpha 65.59141609
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural H28Ru2S4N8O12
_chemical_formula_sum "H28 Ru2 S4 N8 O12"
_cell_length_a 7.091792
_cell_length_b 6.315075
_cell_length_c 11.76688332
_cell_angle_alpha 65.59141609
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveSelectedAtomsAction | b8055407-c27b-4de3-9b34-063d332fff23 | mp-1040333 | Move atoms at indices [52, 30, 36, 14, 60, 29, 39, 18, 54, 7, 31, 8, 1, 15, 34, 59, 6, 23, 42, 33, 3, 16, 35, 12, 21, 28, 53, 2, 37, 13, 47, 45, 56, 25, 51, 43, 49, 38] by [-1.111 1.192 -1.705] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg30TiCO32
_chemical_formula_sum "Mg30 Ti1 C1 O32"
_cell_length_a 8.489816
_cell_length_b 8.489816
_cell_length_c 8.641078
_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 Mg30TiCO32
_chemical_formula_sum "Mg30 Ti1 C1 O32"
_cell_length_a 8.489816
_cell_length_b 8.489816
_cell_length_c 8.641078
_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 | 6a11ee69-fa18-4f2d-bf2a-b03d1a8cfbe7 | mp-1195087 | Move atoms at indices [26, 27, 7, 5] by [ 0.652 -1.178 0.517] angstrom in the cif file. | data_image0
_chemical_formula_structural Tl16Pb4Se12
_chemical_formula_sum "Tl16 Pb4 Se12"
_cell_length_a 8.55506407
_cell_length_b 8.55506407
_cell_length_c 13.07682448
_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 Tl16Pb4Se12
_chemical_formula_sum "Tl16 Pb4 Se12"
_cell_length_a 8.55506407
_cell_length_b 8.55506407
_cell_length_c 13.07682448
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveSelectedAtomsAction | 2ce4a762-307a-45fe-b5e4-44d12a409152 | mp-1227155 | Move atoms at indices [11, 6, 2, 1, 10, 9, 3, 7, 4, 8] by [1.702 0.83 5.056] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Mg4Zn4
_chemical_formula_sum "Ca4 Mg4 Zn4"
_cell_length_a 5.84729168
_cell_length_b 5.84729168
_cell_length_c 9.666851
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.83482357
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Ca4Mg4Zn4
_chemical_formula_sum "Ca4 Mg4 Zn4"
_cell_length_a 5.84729168
_cell_length_b 5.84729168
_cell_length_c 9.666851
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.83482357
_space_group_name_H-M_alt "P 1... |
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