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 | f5968e55-1ebc-4042-8827-1a4694f1b299 | mp-24598 | Move atoms at indices [0, 37, 21, 26, 56, 27, 25, 62, 69, 60, 14, 45, 39, 31, 63, 54, 22, 42, 16, 24, 8, 18, 35, 5, 34, 61, 7, 65, 71, 50, 58, 6, 66, 28, 32, 43, 10, 23, 19, 68, 55, 2, 1, 29, 15, 44, 49, 17, 67, 33, 36, 46, 70, 11, 48, 38, 57, 20, 47, 53, 64, 52, 41, 51, 9, 59, 4, 12, 13, 3, 30] by [-1.561 0.601 -2.32... | 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 | cf66c0c5-6851-401b-a459-db13fae9a19f | mp-680754 | Move atoms at indices [12, 7, 0, 5, 16, 15, 6] by [-0.865 -0.873 -0.768] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca10Cu2Pb6
_chemical_formula_sum "Ca10 Cu2 Pb6"
_cell_length_a 9.62567022
_cell_length_b 9.62567022
_cell_length_c 6.774716
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000149999998
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Ca10Cu2Pb6
_chemical_formula_sum "Ca10 Cu2 Pb6"
_cell_length_a 9.62567022
_cell_length_b 9.62567022
_cell_length_c 6.774716
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000149999998
_space_group_name_H-M_alt... |
MoveSelectedAtomsAction | 64677527-1608-4c43-85b8-9ce2906de13c | mp-753268 | Move atoms at indices [9, 3] by [-1.643 -2.456 4.456] angstrom in the cif file. | data_image0
_chemical_formula_structural Li6CuF8
_chemical_formula_sum "Li6 Cu1 F8"
_cell_length_a 5.83628149
_cell_length_b 5.836281490000001
_cell_length_c 5.98314077
_cell_angle_alpha 62.57039479000001
_cell_angle_beta 62.570394789999995
_cell_angle_gamma 58.72180139
_... | data_image0
_chemical_formula_structural Li6CuF8
_chemical_formula_sum "Li6 Cu1 F8"
_cell_length_a 5.83628149
_cell_length_b 5.836281490000001
_cell_length_c 5.98314077
_cell_angle_alpha 62.57039479000001
_cell_angle_beta 62.570394789999995
_cell_angle_gamma 58.72180139
_... |
MoveSelectedAtomsAction | ac9a64af-8304-4e07-a54a-ba6eb772168f | mp-1193899 | Move atoms at indices [21, 26, 16, 20, 7, 14, 19, 12, 24, 0, 3, 8, 1, 27, 4, 28, 22, 11, 10] by [ 1.577 0.26 -1.294] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta8Fe8Si14
_chemical_formula_sum "Ta8 Fe8 Si14"
_cell_length_a 9.22762901
_cell_length_b 9.22762901
_cell_length_c 9.22762901
_cell_angle_alpha 94.22080954
_cell_angle_beta 94.22080954
_cell_angle_gamma 148.51744114999997
_space_gr... | data_image0
_chemical_formula_structural Ta8Fe8Si14
_chemical_formula_sum "Ta8 Fe8 Si14"
_cell_length_a 9.22762901
_cell_length_b 9.22762901
_cell_length_c 9.22762901
_cell_angle_alpha 94.22080954
_cell_angle_beta 94.22080954
_cell_angle_gamma 148.51744114999997
_space_gr... |
MoveSelectedAtomsAction | 8316ec28-7285-4d71-92eb-a4aa5e44080b | mp-559593 | Move atoms at indices [0, 14, 31, 13, 21, 4, 16, 8, 27, 18, 5, 25, 32] by [ 2.802 1.971 -1.586] 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 | 3d27ed6c-b2fe-4e69-bd83-d05a80587cc6 | mp-757606 | Move atoms at indices [0, 13, 6, 3, 1, 5, 11, 2] by [-1.456 -3.445 -2.267] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Ni4P4O16
_chemical_formula_sum "Li4 Ni4 P4 O16"
_cell_length_a 5.49464502
_cell_length_b 6.239611080000001
_cell_length_c 9.28187495
_cell_angle_alpha 105.10267002000002
_cell_angle_beta 80.98396444
_cell_angle_gamma 103.96264312... | data_image0
_chemical_formula_structural Li4Ni4P4O16
_chemical_formula_sum "Li4 Ni4 P4 O16"
_cell_length_a 5.49464502
_cell_length_b 6.239611080000001
_cell_length_c 9.28187495
_cell_angle_alpha 105.10267002000002
_cell_angle_beta 80.98396444
_cell_angle_gamma 103.96264312... |
MoveSelectedAtomsAction | 5df21875-dfee-493d-8350-a7f7d1507eb3 | mp-1040980 | Move atoms at indices [20, 22, 8, 9, 50, 1, 12, 34, 35, 37, 14, 23, 33, 16, 47, 24, 7, 28, 26, 46, 18, 31, 44, 11, 19, 38, 45, 51, 10, 29, 21, 36, 40, 2, 32, 15, 39, 27, 5, 43, 48, 4, 6, 0, 30, 49, 13, 17, 3, 41] by [-0.202 -1.059 0.163] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4Cu8Bi8O32
_chemical_formula_sum "Mg4 Cu8 Bi8 O32"
_cell_length_a 8.571267
_cell_length_b 6.429923
_cell_length_c 13.771039649999999
_cell_angle_alpha 86.64248043000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural Mg4Cu8Bi8O32
_chemical_formula_sum "Mg4 Cu8 Bi8 O32"
_cell_length_a 8.571267
_cell_length_b 6.429923
_cell_length_c 13.771039649999999
_cell_angle_alpha 86.64248043000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
MoveSelectedAtomsAction | ca405763-553a-4eb4-8c41-e2fe33e8c996 | mp-1227512 | Move atoms at indices [6, 7, 13, 18, 16, 2, 19, 8, 9] by [ 1.646 -2.435 -1.612] angstrom in the cif file. | data_image0
_chemical_formula_structural Bi8Se6S6
_chemical_formula_sum "Bi8 Se6 S6"
_cell_length_a 4.10931
_cell_length_b 11.423795
_cell_length_c 11.8573
_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 Bi8Se6S6
_chemical_formula_sum "Bi8 Se6 S6"
_cell_length_a 4.10931
_cell_length_b 11.423795
_cell_length_c 11.8573
_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 | 4f61f4c1-2082-403f-ab3f-efb71bb8e8e0 | mp-779625 | Move atoms at indices [48, 59, 21, 35, 6, 78, 40, 49, 72, 68, 62, 52, 45, 11, 28, 18, 77, 26, 81, 51, 53, 83, 24, 5, 58, 31, 75, 80, 8, 67, 47, 1, 82, 14, 27, 36, 56, 15, 60, 16, 17, 33, 12, 30, 3, 55, 57, 41, 44, 2, 34, 32, 7, 20, 38, 70, 4, 50, 61, 71, 66, 74, 79, 22, 25, 54, 63, 19, 29, 76, 65, 39] by [-1.457 -1.548... | data_image0
_chemical_formula_structural Li16Mn8P12O48
_chemical_formula_sum "Li16 Mn8 P12 O48"
_cell_length_a 8.888442
_cell_length_b 8.648767
_cell_length_c 14.93486204
_cell_angle_alpha 56.52907429
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li16Mn8P12O48
_chemical_formula_sum "Li16 Mn8 P12 O48"
_cell_length_a 8.888442
_cell_length_b 8.648767
_cell_length_c 14.93486204
_cell_angle_alpha 56.52907429
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 462c441c-e3db-44eb-9f1c-eb63dff699b0 | mp-1356795 | Move atoms at indices [1, 10, 20, 18, 14, 21, 12, 33, 25, 0, 11, 35, 5, 7, 17, 30, 8, 15, 4, 22, 34, 27, 2, 19, 29, 3, 23] by [ 0.837 0.445 -2.041] angstrom in the cif file. | data_image0
_chemical_formula_structural Zn6Bi4P4O24
_chemical_formula_sum "Zn6 Bi4 P4 O24"
_cell_length_a 5.253354
_cell_length_b 7.938561
_cell_length_c 12.044391
_cell_angle_alpha 88.87129292
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Zn6Bi4P4O24
_chemical_formula_sum "Zn6 Bi4 P4 O24"
_cell_length_a 5.253354
_cell_length_b 7.938561
_cell_length_c 12.044391
_cell_angle_alpha 88.87129292
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveSelectedAtomsAction | fde14f6f-d3bb-44e9-a5b5-70300e516c8f | mp-1303460 | Move atoms at indices [8, 22, 33, 39, 1, 30, 17, 24, 36, 32, 10, 9, 35, 0, 18, 20] by [-1.098 -1.298 -1.084] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Co4C8O24
_chemical_formula_sum "Li4 Co4 C8 O24"
_cell_length_a 6.49385373
_cell_length_b 9.35371211
_cell_length_c 9.35274032
_cell_angle_alpha 113.09499736000001
_cell_angle_beta 102.80144418999998
_cell_angle_gamma 103.20683676... | data_image0
_chemical_formula_structural Li4Co4C8O24
_chemical_formula_sum "Li4 Co4 C8 O24"
_cell_length_a 6.49385373
_cell_length_b 9.35371211
_cell_length_c 9.35274032
_cell_angle_alpha 113.09499736000001
_cell_angle_beta 102.80144418999998
_cell_angle_gamma 103.20683676... |
MoveSelectedAtomsAction | 4f238c20-1690-46d5-aea3-9cd44fbd22ef | mp-1198945 | Move atoms at indices [32, 29, 3, 6, 13, 16, 1, 9, 21, 31, 7, 22, 0, 35, 11, 25, 15, 27, 20, 5, 33, 8, 10, 24, 12, 23] by [-0.74 0.755 -1.748] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4B8H24
_chemical_formula_sum "Mg4 B8 H24"
_cell_length_a 7.779874
_cell_length_b 7.976890849999999
_cell_length_c 8.81460468
_cell_angle_alpha 92.17178982
_cell_angle_beta 93.77056033
_cell_angle_gamma 92.90075256
_space_group_na... | data_image0
_chemical_formula_structural Mg4B8H24
_chemical_formula_sum "Mg4 B8 H24"
_cell_length_a 7.779874
_cell_length_b 7.976890849999999
_cell_length_c 8.81460468
_cell_angle_alpha 92.17178982
_cell_angle_beta 93.77056033
_cell_angle_gamma 92.90075256
_space_group_na... |
MoveSelectedAtomsAction | 9ccc2281-a947-4c5f-ba0b-cf30b4883277 | mp-1331651 | Move atoms at indices [25, 3, 9, 11, 8, 14, 23, 2, 16, 19, 0, 17, 27, 5, 22, 18, 7, 21] by [-0.097 -1.512 3.294] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn3V3Sb2O16
_chemical_formula_sum "Li4 Mn3 V3 Sb2 O16"
_cell_length_a 5.93637
_cell_length_b 6.06861172
_cell_length_c 9.79082321
_cell_angle_alpha 91.6773613
_cell_angle_beta 89.93457476
_cell_angle_gamma 119.28604489
_space_gr... | data_image0
_chemical_formula_structural Li4Mn3V3Sb2O16
_chemical_formula_sum "Li4 Mn3 V3 Sb2 O16"
_cell_length_a 5.93637
_cell_length_b 6.06861172
_cell_length_c 9.79082321
_cell_angle_alpha 91.6773613
_cell_angle_beta 89.93457476
_cell_angle_gamma 119.28604489
_space_gr... |
MoveSelectedAtomsAction | 85077aac-397b-4a92-b3fb-bd5e5df9f32f | mp-555792 | Move atoms at indices [14, 6, 7, 5, 0, 11, 9, 16, 4, 3, 13, 17, 12] by [ 1.025 -2.489 -0.57 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2Os4O12
_chemical_formula_sum "Na2 Os4 O12"
_cell_length_a 7.20794247
_cell_length_b 7.20794247
_cell_length_c 7.20794247
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Na2Os4O12
_chemical_formula_sum "Na2 Os4 O12"
_cell_length_a 7.20794247
_cell_length_b 7.20794247
_cell_length_c 7.20794247
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... |
MoveSelectedAtomsAction | 2be8feb1-7d44-4f28-b5be-f0e286f915fd | mp-35143 | Move atoms at indices [1] by [ 0.088 0.473 -1.694] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Nb2S6
_chemical_formula_sum "Ba2 Nb2 S6"
_cell_length_a 6.95265609
_cell_length_b 6.95265518
_cell_length_c 5.73582701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998911000002
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba2Nb2S6
_chemical_formula_sum "Ba2 Nb2 S6"
_cell_length_a 6.95265609
_cell_length_b 6.95265518
_cell_length_c 5.73582701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998911000002
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | cd084277-470d-4b08-8f9d-8080855ac3c3 | mp-1197620 | Move atoms at indices [19, 9, 32, 61, 6, 45, 59, 20, 52, 2, 11, 31, 16, 4, 41, 46, 7, 40, 13, 34, 8, 24, 51, 10, 0, 15, 21, 12, 28, 27, 29, 36, 3, 14, 49, 43, 57, 44, 18, 30, 23, 25, 17, 63, 26, 33, 53, 39, 50, 37, 58, 42, 56, 5, 55, 35, 22, 47, 38, 62, 48, 54, 60] by [ 0.94 -1.486 0.847] angstrom in the cif file. | data_image0
_chemical_formula_structural K12As4P12Se36
_chemical_formula_sum "K12 As4 P12 Se36"
_cell_length_a 23.45433502
_cell_length_b 8.22297513
_cell_length_c 12.33400796
_cell_angle_alpha 55.90592922999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural K12As4P12Se36
_chemical_formula_sum "K12 As4 P12 Se36"
_cell_length_a 23.45433502
_cell_length_b 8.22297513
_cell_length_c 12.33400796
_cell_angle_alpha 55.90592922999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
MoveSelectedAtomsAction | b0812f95-5bc3-4aa3-b439-e842a4d54e32 | mp-1245330 | Move atoms at indices [31, 55, 24, 38, 12, 46, 37, 22, 52, 54, 13, 23, 30, 45, 15, 9, 0, 40, 41, 3, 42, 1, 44, 50, 7, 35, 32, 33, 20] by [ 3.871 -2.579 0.755] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe28Ge4N24
_chemical_formula_sum "Fe28 Ge4 N24"
_cell_length_a 8.086777
_cell_length_b 6.339445
_cell_length_c 10.707882
_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 Fe28Ge4N24
_chemical_formula_sum "Fe28 Ge4 N24"
_cell_length_a 8.086777
_cell_length_b 6.339445
_cell_length_c 10.707882
_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 | 05728a89-8c35-4fb2-93f6-1e786a4bbabd | mp-1048419 | Move atoms at indices [2] by [-0.088 -1.829 -1.426] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4Ta2Nb4O16
_chemical_formula_sum "Mg4 Ta2 Nb4 O16"
_cell_length_a 5.230123
_cell_length_b 5.982446959999999
_cell_length_c 10.004586360000001
_cell_angle_alpha 103.85833502
_cell_angle_beta 93.27404124
_cell_angle_gamma 91.7195298... | data_image0
_chemical_formula_structural Mg4Ta2Nb4O16
_chemical_formula_sum "Mg4 Ta2 Nb4 O16"
_cell_length_a 5.230123
_cell_length_b 5.982446959999999
_cell_length_c 10.004586360000001
_cell_angle_alpha 103.85833502
_cell_angle_beta 93.27404124
_cell_angle_gamma 91.7195298... |
MoveSelectedAtomsAction | 1cd948bb-5776-4d30-b04b-5ddc26aa1442 | mp-1508 | Move atoms at indices [21, 6, 13, 1] by [ 3.308 3.65 -1.958] angstrom in the cif file. | data_image0
_chemical_formula_structural La8S16
_chemical_formula_sum "La8 S16"
_cell_length_a 4.15927327
_cell_length_b 8.17723374
_cell_length_c 16.40527612
_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 La8S16
_chemical_formula_sum "La8 S16"
_cell_length_a 4.15927327
_cell_length_b 8.17723374
_cell_length_c 16.40527612
_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 | 850c2ff4-6bfa-4aef-89fb-50cdce8592be | mp-1209038 | Move atoms at indices [6, 7, 9, 2, 0, 17, 5, 8, 15, 10, 1] by [-0.503 -1.034 -0.728] angstrom in the cif file. | data_image0
_chemical_formula_structural Sm12Co4Sn2
_chemical_formula_sum "Sm12 Co4 Sn2"
_cell_length_a 8.5812899
_cell_length_b 8.5812899
_cell_length_c 8.5812899
_cell_angle_alpha 112.26447806
_cell_angle_beta 109.44771758
_cell_angle_gamma 106.74848574
_space_group_nam... | data_image0
_chemical_formula_structural Sm12Co4Sn2
_chemical_formula_sum "Sm12 Co4 Sn2"
_cell_length_a 8.5812899
_cell_length_b 8.5812899
_cell_length_c 8.5812899
_cell_angle_alpha 112.26447806
_cell_angle_beta 109.44771758
_cell_angle_gamma 106.74848574
_space_group_nam... |
MoveSelectedAtomsAction | a3cd8e9d-fdce-4ac1-8c4a-2c57cca0764f | mp-781738 | Move atoms at indices [25, 56, 1, 18, 41, 11, 28, 0, 44, 51, 47, 31, 48, 43, 23, 33, 36, 30, 26, 12, 15, 22, 13, 50, 14, 40, 49, 17, 37, 29, 6, 39, 57, 42, 45, 16, 55, 53, 3, 54, 46, 38] by [0.307 0.475 0.743] angstrom in the cif file. | data_image0
_chemical_formula_structural Na12V4B8S2O32
_chemical_formula_sum "Na12 V4 B8 S2 O32"
_cell_length_a 9.93543717
_cell_length_b 9.93543717
_cell_length_c 9.93543717
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... | data_image0
_chemical_formula_structural Na12V4B8S2O32
_chemical_formula_sum "Na12 V4 B8 S2 O32"
_cell_length_a 9.93543717
_cell_length_b 9.93543717
_cell_length_c 9.93543717
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... |
MoveSelectedAtomsAction | fdce3634-e74e-4db8-8626-d1750161a164 | mp-1175308 | Move atoms at indices [19, 28, 5, 9, 41, 11, 25, 35, 3, 20, 4, 16, 44, 26, 43, 14, 36, 0, 13, 47, 15, 12, 33, 45, 24, 10, 1, 21, 31, 38, 42, 39, 6, 22, 23, 37, 30, 34, 8] by [-3.291 -1.139 -0.119] angstrom in the cif file. | data_image0
_chemical_formula_structural Li14Mn10O24
_chemical_formula_sum "Li14 Mn10 O24"
_cell_length_a 6.4604732
_cell_length_b 9.30408087
_cell_length_c 7.7911714
_cell_angle_alpha 71.89936080999999
_cell_angle_beta 89.76486087999999
_cell_angle_gamma 82.70632592999999... | data_image0
_chemical_formula_structural Li14Mn10O24
_chemical_formula_sum "Li14 Mn10 O24"
_cell_length_a 6.4604732
_cell_length_b 9.30408087
_cell_length_c 7.7911714
_cell_angle_alpha 71.89936080999999
_cell_angle_beta 89.76486087999999
_cell_angle_gamma 82.70632592999999... |
MoveSelectedAtomsAction | f46d16ed-2eab-4c22-a527-7e2f413fecc0 | mp-554397 | Move atoms at indices [22, 0, 1, 3] by [2.498 3.025 1.682] 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 | 49948987-b3ec-427b-a0c5-53760b0213b5 | mp-559558 | Move atoms at indices [36, 20, 19, 67, 8, 34, 5, 63, 64, 17, 22, 77, 48, 15, 55, 11, 54, 30, 24, 57, 10, 18, 0, 65, 75, 61, 42, 66, 74, 68, 51, 29, 40, 14] by [ 2.38 -2.763 0.238] angstrom in the cif file. | data_image0
_chemical_formula_structural Cu12P32S24Cl12
_chemical_formula_sum "Cu12 P32 S24 Cl12"
_cell_length_a 6.354919
_cell_length_b 11.60933
_cell_length_c 26.560462
_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 Cu12P32S24Cl12
_chemical_formula_sum "Cu12 P32 S24 Cl12"
_cell_length_a 6.354919
_cell_length_b 11.60933
_cell_length_c 26.560462
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveSelectedAtomsAction | d44c2970-6ce7-47dd-8012-cc6b33fe4a98 | mp-685281 | Move atoms at indices [20, 4, 21, 19, 0, 22, 11, 7, 12, 23, 3, 17, 10] by [ 0.163 -3.236 -0.363] angstrom in the cif file. | data_image0
_chemical_formula_structural TiZnH12O6F6
_chemical_formula_sum "Ti1 Zn1 H12 O6 F6"
_cell_length_a 6.52220492
_cell_length_b 6.52220492
_cell_length_c 6.522205700000001
_cell_angle_alpha 95.56394999
_cell_angle_beta 95.56394999
_cell_angle_gamma 95.56395338
_sp... | data_image0
_chemical_formula_structural TiZnH12O6F6
_chemical_formula_sum "Ti1 Zn1 H12 O6 F6"
_cell_length_a 6.52220492
_cell_length_b 6.52220492
_cell_length_c 6.522205700000001
_cell_angle_alpha 95.56394999
_cell_angle_beta 95.56394999
_cell_angle_gamma 95.56395338
_sp... |
MoveSelectedAtomsAction | cd1140e1-87af-4fca-8d7e-162131a29a5b | mp-1019732 | Move atoms at indices [15, 17, 4, 13, 1, 3, 18, 21, 7, 23, 6, 26, 5, 8, 22, 2] by [-0.963 2.271 2.032] angstrom in the cif file. | data_image0
_chemical_formula_structural Eu4Al8O16
_chemical_formula_sum "Eu4 Al8 O16"
_cell_length_a 8.78679975
_cell_length_b 5.15898983
_cell_length_c 8.41576037
_cell_angle_alpha 86.64672714
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Eu4Al8O16
_chemical_formula_sum "Eu4 Al8 O16"
_cell_length_a 8.78679975
_cell_length_b 5.15898983
_cell_length_c 8.41576037
_cell_angle_alpha 86.64672714
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveSelectedAtomsAction | bdb38445-b74b-45ad-983b-d67a6d63415f | mp-1173626 | Move atoms at indices [13, 12, 10, 11, 1, 9, 5, 4, 2, 0] by [-0.959 0.138 1.771] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd4C2O10
_chemical_formula_sum "Nd4 C2 O10"
_cell_length_a 4.03349494
_cell_length_b 4.03349514
_cell_length_c 15.68822464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.82390851
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Nd4C2O10
_chemical_formula_sum "Nd4 C2 O10"
_cell_length_a 4.03349494
_cell_length_b 4.03349514
_cell_length_c 15.68822464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.82390851
_space_group_name_H-M_alt "P ... |
MoveSelectedAtomsAction | d668c065-8047-4b7e-aa4b-c19ff31ef220 | mp-760977 | Move atoms at indices [9, 11, 8, 7, 0, 5] by [-1.162 0.952 0.786] angstrom in the cif file. | data_image0
_chemical_formula_structural Ni6O2F10
_chemical_formula_sum "Ni6 O2 F10"
_cell_length_a 4.68898674
_cell_length_b 4.68906755
_cell_length_c 9.283474999999997
_cell_angle_alpha 90.00154264
_cell_angle_beta 89.99872225
_cell_angle_gamma 89.21634516
_space_group_... | data_image0
_chemical_formula_structural Ni6O2F10
_chemical_formula_sum "Ni6 O2 F10"
_cell_length_a 4.68898674
_cell_length_b 4.68906755
_cell_length_c 9.283474999999997
_cell_angle_alpha 90.00154264
_cell_angle_beta 89.99872225
_cell_angle_gamma 89.21634516
_space_group_... |
MoveSelectedAtomsAction | b8395e50-1f8f-4685-81e8-5f03013b61c1 | mp-1229279 | Move atoms at indices [2, 52, 49, 38, 48, 36, 33, 3, 40, 11, 54, 26, 16, 1, 15, 34, 46, 32, 6, 35, 17, 41, 37, 30, 22, 25, 47, 29, 4, 31, 50, 12, 44, 0, 14, 13, 5, 21, 23, 28, 8, 18] by [ 0.44 -2.228 -0.53 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Se4S16O31
_chemical_formula_sum "Ba4 Se4 S16 O31"
_cell_length_a 10.734121
_cell_length_b 5.333838
_cell_length_c 22.147670509999998
_cell_angle_alpha 89.93004263
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Ba4Se4S16O31
_chemical_formula_sum "Ba4 Se4 S16 O31"
_cell_length_a 10.734121
_cell_length_b 5.333838
_cell_length_c 22.147670509999998
_cell_angle_alpha 89.93004263
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
MoveSelectedAtomsAction | 4e4e449b-ed10-457f-8163-a699de668241 | mp-8825 | Move atoms at indices [36, 62, 50, 37, 58, 10, 21, 33, 67, 14, 51, 8, 24, 59, 13, 20, 52, 45, 66, 23, 31, 6, 54, 40, 9, 60, 2, 63, 53, 41, 27, 55, 26, 56, 16, 39, 28, 44, 61, 42, 48, 43, 18, 11, 4, 47] by [-2.801 -1.544 1.434] angstrom in the cif file. | data_image0
_chemical_formula_structural Pr24O44
_chemical_formula_sum "Pr24 O44"
_cell_length_a 6.916873
_cell_length_b 12.26425233
_cell_length_c 13.453490299999999
_cell_angle_alpha 89.09660662
_cell_angle_beta 78.27549531
_cell_angle_gamma 89.56569399
_space_group_nam... | data_image0
_chemical_formula_structural Pr24O44
_chemical_formula_sum "Pr24 O44"
_cell_length_a 6.916873
_cell_length_b 12.26425233
_cell_length_c 13.453490299999999
_cell_angle_alpha 89.09660662
_cell_angle_beta 78.27549531
_cell_angle_gamma 89.56569399
_space_group_nam... |
MoveSelectedAtomsAction | d88cdc43-a8b5-4195-b1fb-cbf583368ae3 | mp-1176400 | Move atoms at indices [47, 4, 45, 46, 44, 9, 40, 43, 19, 34, 37, 49, 23, 11, 32, 25, 48, 7, 3, 51, 21, 41, 35, 2] by [-1.23 -4.372 -2.317] angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Li4Fe4P4C4O28
_chemical_formula_sum "Na8 Li4 Fe4 P4 C4 O28"
_cell_length_a 6.675617
_cell_length_b 8.84358954
_cell_length_c 10.33512443
_cell_angle_alpha 91.98489603
_cell_angle_beta 90.26083077
_cell_angle_gamma 91.11467526
_s... | data_image0
_chemical_formula_structural Na8Li4Fe4P4C4O28
_chemical_formula_sum "Na8 Li4 Fe4 P4 C4 O28"
_cell_length_a 6.675617
_cell_length_b 8.84358954
_cell_length_c 10.33512443
_cell_angle_alpha 91.98489603
_cell_angle_beta 90.26083077
_cell_angle_gamma 91.11467526
_s... |
MoveSelectedAtomsAction | 2eeecf7f-826b-4698-9734-dcd857918b2b | mp-1246580 | Move atoms at indices [3, 12, 13, 16, 4, 1, 0, 11, 6, 9, 8, 5, 15, 2, 17, 7] by [-1.792 -1.607 -2.618] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca6Mo4N8
_chemical_formula_sum "Ca6 Mo4 N8"
_cell_length_a 7.04236519
_cell_length_b 8.55334875
_cell_length_c 5.502879380000001
_cell_angle_alpha 90.00000168999999
_cell_angle_beta 90.58006323
_cell_angle_gamma 127.39295567999999
... | data_image0
_chemical_formula_structural Ca6Mo4N8
_chemical_formula_sum "Ca6 Mo4 N8"
_cell_length_a 7.04236519
_cell_length_b 8.55334875
_cell_length_c 5.502879380000001
_cell_angle_alpha 90.00000168999999
_cell_angle_beta 90.58006323
_cell_angle_gamma 127.39295567999999
... |
MoveSelectedAtomsAction | c8264586-1e42-4add-94b2-e6242e8ef7a2 | mp-1220408 | Move atoms at indices [9, 8, 10, 7, 11, 3, 6, 0] by [ 1.174 -2.394 2.58 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb4Al4Zn4
_chemical_formula_sum "Nb4 Al4 Zn4"
_cell_length_a 5.02221354
_cell_length_b 5.02226131
_cell_length_c 8.31295142
_cell_angle_alpha 90.00046036
_cell_angle_beta 90.00048932
_cell_angle_gamma 60.6792737
_space_group_name_H... | data_image0
_chemical_formula_structural Nb4Al4Zn4
_chemical_formula_sum "Nb4 Al4 Zn4"
_cell_length_a 5.02221354
_cell_length_b 5.02226131
_cell_length_c 8.31295142
_cell_angle_alpha 90.00046036
_cell_angle_beta 90.00048932
_cell_angle_gamma 60.6792737
_space_group_name_H... |
MoveSelectedAtomsAction | 3cb3b646-62b6-4d81-85c4-ecd078bff393 | mp-557123 | Move atoms at indices [10, 28, 0, 11, 19, 43, 46, 4, 45, 44, 31, 32, 54, 55, 42, 41, 15, 26, 53, 23, 21, 48] by [1.535 1.555 0.529] angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Cu4Si12O32
_chemical_formula_sum "Na8 Cu4 Si12 O32"
_cell_length_a 10.410557
_cell_length_b 8.012812
_cell_length_c 9.73027488
_cell_angle_alpha 74.34396582
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na8Cu4Si12O32
_chemical_formula_sum "Na8 Cu4 Si12 O32"
_cell_length_a 10.410557
_cell_length_b 8.012812
_cell_length_c 9.73027488
_cell_angle_alpha 74.34396582
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | efc059d1-854c-4afd-abb0-207e7a3dae3b | mp-726261 | Move atoms at indices [20, 10, 2] by [-0.312 -1.97 1.73 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Cu2C6N4O10
_chemical_formula_sum "Cu2 C6 N4 O10"
_cell_length_a 6.950721
_cell_length_b 7.11348608
_cell_length_c 8.65397866
_cell_angle_alpha 105.43300671
_cell_angle_beta 90.64948244
_cell_angle_gamma 112.19062950999998
_space_gr... | data_image0
_chemical_formula_structural Cu2C6N4O10
_chemical_formula_sum "Cu2 C6 N4 O10"
_cell_length_a 6.950721
_cell_length_b 7.11348608
_cell_length_c 8.65397866
_cell_angle_alpha 105.43300671
_cell_angle_beta 90.64948244
_cell_angle_gamma 112.19062950999998
_space_gr... |
MoveSelectedAtomsAction | eda85e40-ee5e-4a59-a952-aade12213183 | mp-849779 | Move atoms at indices [42, 76, 36, 38, 23, 85, 3, 83, 81, 18, 62, 60, 0, 46, 78, 84, 44, 80, 49, 33, 61, 34, 75, 7, 63, 48, 20, 37, 57, 64, 73, 9, 1, 5, 6, 51, 25, 22, 31, 55, 16, 47, 40, 32, 77, 87, 8, 71, 67, 21, 50, 74, 4, 43, 68, 12, 19, 54, 56, 69, 26, 59, 10, 2, 79, 15, 29, 53, 82, 24, 35] by [-2.122 0.569 -1.93... | data_image0
_chemical_formula_structural Li4Si24Bi4O56
_chemical_formula_sum "Li4 Si24 Bi4 O56"
_cell_length_a 13.1493043
_cell_length_b 13.1493043
_cell_length_c 13.1493043
_cell_angle_alpha 146.13628062999996
_cell_angle_beta 107.23526540999998
_cell_angle_gamma 82.72329... | data_image0
_chemical_formula_structural Li4Si24Bi4O56
_chemical_formula_sum "Li4 Si24 Bi4 O56"
_cell_length_a 13.1493043
_cell_length_b 13.1493043
_cell_length_c 13.1493043
_cell_angle_alpha 146.13628062999996
_cell_angle_beta 107.23526540999998
_cell_angle_gamma 82.72329... |
MoveSelectedAtomsAction | 5d2e4c9d-b71a-4e72-8353-c222ea351041 | mp-1029422 | Move atoms at indices [4, 10, 3, 7, 0, 6, 1, 2, 5, 11, 8, 9] by [-1.154 -1.522 1.342] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb2Zn4N6
_chemical_formula_sum "Nb2 Zn4 N6"
_cell_length_a 5.69129974
_cell_length_b 5.76525118
_cell_length_c 5.38931929
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.43078747999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nb2Zn4N6
_chemical_formula_sum "Nb2 Zn4 N6"
_cell_length_a 5.69129974
_cell_length_b 5.76525118
_cell_length_c 5.38931929
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.43078747999999
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 8db2d00c-3d2a-4817-9c10-089f3183c344 | mp-758458 | Move atoms at indices [68, 19, 71, 18, 50, 25, 64, 31, 70, 37, 62, 30, 14, 33, 57, 54, 53, 67, 47, 65, 13, 24, 44, 9, 4, 12, 39, 43, 48, 16, 6, 38, 35, 7, 51, 63, 3, 27, 34, 1, 52, 41, 40, 46, 49, 45, 15, 17] by [-1.086 0.941 -0.408] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V4P16O48
_chemical_formula_sum "Li4 V4 P16 O48"
_cell_length_a 8.879103
_cell_length_b 7.147007
_cell_length_c 15.863987029999999
_cell_angle_alpha 64.71297704
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Li4V4P16O48
_chemical_formula_sum "Li4 V4 P16 O48"
_cell_length_a 8.879103
_cell_length_b 7.147007
_cell_length_c 15.863987029999999
_cell_angle_alpha 64.71297704
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
MoveSelectedAtomsAction | c00eea52-5abc-4033-8706-943502d4007f | mp-1048875 | Move atoms at indices [13, 4, 12, 8, 5] by [0.808 0.962 2.013] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn4Zn2O8
_chemical_formula_sum "Mn4 Zn2 O8"
_cell_length_a 6.07409152
_cell_length_b 6.07409152
_cell_length_c 6.07409219
_cell_angle_alpha 60.19765702000001
_cell_angle_beta 60.19765702000001
_cell_angle_gamma 60.19766422000001
_s... | data_image0
_chemical_formula_structural Mn4Zn2O8
_chemical_formula_sum "Mn4 Zn2 O8"
_cell_length_a 6.07409152
_cell_length_b 6.07409152
_cell_length_c 6.07409219
_cell_angle_alpha 60.19765702000001
_cell_angle_beta 60.19765702000001
_cell_angle_gamma 60.19766422000001
_s... |
MoveSelectedAtomsAction | e3fd67f5-883b-4651-8b84-fb868cf4d67e | mp-571288 | Move atoms at indices [9, 13] by [ 0.105 -0.892 -0.829] angstrom in the cif file. | data_image0
_chemical_formula_structural K2Ta2Ag4Se8
_chemical_formula_sum "K2 Ta2 Ag4 Se8"
_cell_length_a 10.42076555
_cell_length_b 10.420765549999999
_cell_length_c 8.375799
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 145.59204863
_space_group_name_H... | data_image0
_chemical_formula_structural K2Ta2Ag4Se8
_chemical_formula_sum "K2 Ta2 Ag4 Se8"
_cell_length_a 10.42076555
_cell_length_b 10.420765549999999
_cell_length_c 8.375799
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 145.59204863
_space_group_name_H... |
MoveSelectedAtomsAction | e1372079-e460-4d05-be3b-9de2478cb619 | mp-1112206 | Move atoms at indices [5, 9, 8, 7, 4, 6, 0, 3, 2, 1] by [-3.57 0.189 0.378] angstrom in the cif file. | data_image0
_chemical_formula_structural K2GaHgI6
_chemical_formula_sum "K2 Ga1 Hg1 I6"
_cell_length_a 8.40003965
_cell_length_b 8.40003965
_cell_length_c 8.40003965
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural K2GaHgI6
_chemical_formula_sum "K2 Ga1 Hg1 I6"
_cell_length_a 8.40003965
_cell_length_b 8.40003965
_cell_length_c 8.40003965
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... |
MoveSelectedAtomsAction | 44c18733-9b92-496d-b083-e9ac21e81b0f | mp-1214552 | Move atoms at indices [37, 1, 28, 46, 3, 39, 7, 45, 2, 14, 36] by [ 0.344 -5.316 -1.134] 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 | 623d353d-e2e2-42fd-a102-bf960c9f7936 | mp-1247313 | Move atoms at indices [20, 22, 6, 0, 7, 18, 24, 31, 16, 29, 13, 19, 14, 28, 30, 10, 3, 12, 5, 21, 9, 27, 15, 4, 26, 8, 11, 17, 1, 2, 25] by [3.788 0.835 0.581] angstrom in the cif file. | data_image0
_chemical_formula_structural Zn16Ag4N12
_chemical_formula_sum "Zn16 Ag4 N12"
_cell_length_a 7.08364552
_cell_length_b 6.79057865
_cell_length_c 11.30124314
_cell_angle_alpha 92.11266917
_cell_angle_beta 94.26143464
_cell_angle_gamma 122.26437455999998
_space_g... | data_image0
_chemical_formula_structural Zn16Ag4N12
_chemical_formula_sum "Zn16 Ag4 N12"
_cell_length_a 7.08364552
_cell_length_b 6.79057865
_cell_length_c 11.30124314
_cell_angle_alpha 92.11266917
_cell_angle_beta 94.26143464
_cell_angle_gamma 122.26437455999998
_space_g... |
MoveSelectedAtomsAction | 3cfbb6aa-dd8b-4b49-9179-639bed61e0bf | mp-572465 | Move atoms at indices [33, 34, 0, 9, 20, 29, 28, 18, 23, 16, 10, 26, 39, 14, 12, 32, 2, 24, 36, 31, 17, 37, 4, 11, 30, 7, 5, 21, 3, 25, 19, 35, 8, 27] by [-0.362 -5.474 0.452] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr4Cu4P8S24
_chemical_formula_sum "Cr4 Cu4 P8 S24"
_cell_length_a 10.378013
_cell_length_b 5.985366
_cell_length_c 14.53043325
_cell_angle_alpha 74.92798852
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cr4Cu4P8S24
_chemical_formula_sum "Cr4 Cu4 P8 S24"
_cell_length_a 10.378013
_cell_length_b 5.985366
_cell_length_c 14.53043325
_cell_angle_alpha 74.92798852
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 764ed005-7db8-4c95-8c3f-f4110d2855c3 | mp-1216973 | Move atoms at indices [12, 8, 6, 10, 18, 17, 30, 25, 11, 23, 29, 4, 33, 21, 24, 19, 0, 14, 16, 35, 22, 1, 34, 15] by [ 0.568 1.256 -0.866] angstrom in the cif file. | data_image0
_chemical_formula_structural Tm14Mg6Ge16
_chemical_formula_sum "Tm14 Mg6 Ge16"
_cell_length_a 7.088886
_cell_length_b 7.702611
_cell_length_c 14.32700303
_cell_angle_alpha 89.99647275
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Tm14Mg6Ge16
_chemical_formula_sum "Tm14 Mg6 Ge16"
_cell_length_a 7.088886
_cell_length_b 7.702611
_cell_length_c 14.32700303
_cell_angle_alpha 89.99647275
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveSelectedAtomsAction | 6182fd3b-15f3-4916-becc-21487e55db72 | mp-580962 | Move atoms at indices [7, 2, 3, 0, 10, 9, 5, 14, 15, 13, 4] by [-3.53 -0.061 -3.712] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2C4I6N4
_chemical_formula_sum "Rb2 C4 I6 N4"
_cell_length_a 4.612451
_cell_length_b 7.362252
_cell_length_c 16.094826
_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 Rb2C4I6N4
_chemical_formula_sum "Rb2 C4 I6 N4"
_cell_length_a 4.612451
_cell_length_b 7.362252
_cell_length_c 16.094826
_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 | bfe43f6e-f118-4867-8538-8a6378fd8f04 | mp-885434 | Move atoms at indices [12, 6, 11, 7, 10] by [ 0.156 -2.197 -1.475] angstrom in the cif file. | data_image0
_chemical_formula_structural K2Li4Fe2O6
_chemical_formula_sum "K2 Li4 Fe2 O6"
_cell_length_a 5.49476973
_cell_length_b 5.49476973
_cell_length_c 6.15100138
_cell_angle_alpha 89.91165704999999
_cell_angle_beta 89.91165704999999
_cell_angle_gamma 73.42810532
_sp... | data_image0
_chemical_formula_structural K2Li4Fe2O6
_chemical_formula_sum "K2 Li4 Fe2 O6"
_cell_length_a 5.49476973
_cell_length_b 5.49476973
_cell_length_c 6.15100138
_cell_angle_alpha 89.91165704999999
_cell_angle_beta 89.91165704999999
_cell_angle_gamma 73.42810532
_sp... |
MoveSelectedAtomsAction | 8ac78e96-eb24-4bd7-a285-3ad03b6cc9a3 | mp-20014 | Move atoms at indices [34] by [-1.302 -1.108 -1.706] angstrom in the cif file. | data_image0
_chemical_formula_structural Al4V4Mo4O28
_chemical_formula_sum "Al4 V4 Mo4 O28"
_cell_length_a 5.451499
_cell_length_b 8.304975
_cell_length_c 12.961972
_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 Al4V4Mo4O28
_chemical_formula_sum "Al4 V4 Mo4 O28"
_cell_length_a 5.451499
_cell_length_b 8.304975
_cell_length_c 12.961972
_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 | 583961b5-3fce-4aec-8375-a20311b60a49 | mp-557900 | Move atoms at indices [18, 40, 42, 7, 29, 50, 26, 13, 39, 25, 24, 11, 21, 15, 14, 3, 27, 17, 28, 53, 51, 1, 6] by [ 2.319 2.633 -0.194] angstrom in the cif file. | data_image0
_chemical_formula_structural Sb4C4S4Cl8F36
_chemical_formula_sum "Sb4 C4 S4 Cl8 F36"
_cell_length_a 9.807782
_cell_length_b 8.027716
_cell_length_c 12.749867329999999
_cell_angle_alpha 79.61769552
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Sb4C4S4Cl8F36
_chemical_formula_sum "Sb4 C4 S4 Cl8 F36"
_cell_length_a 9.807782
_cell_length_b 8.027716
_cell_length_c 12.749867329999999
_cell_angle_alpha 79.61769552
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
MoveSelectedAtomsAction | f02afff4-5b18-4f78-9943-1118c4cd80d5 | mp-1219949 | Move atoms at indices [0, 8, 16, 9, 17, 14, 7, 12, 6, 15, 10, 11] by [-2.355 -0.861 -2.367] 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 | d283e0dd-8ae1-4a33-a41b-f67661381117 | mp-1075693 | Move atoms at indices [22, 10, 24, 27, 20, 13, 26] by [-1.772 1.34 0.89 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg10Si18
_chemical_formula_sum "Mg10 Si18"
_cell_length_a 7.606799
_cell_length_b 7.668632439999999
_cell_length_c 10.038510020000002
_cell_angle_alpha 72.88439338
_cell_angle_beta 80.29411301
_cell_angle_gamma 60.480024699999994
_... | data_image0
_chemical_formula_structural Mg10Si18
_chemical_formula_sum "Mg10 Si18"
_cell_length_a 7.606799
_cell_length_b 7.668632439999999
_cell_length_c 10.038510020000002
_cell_angle_alpha 72.88439338
_cell_angle_beta 80.29411301
_cell_angle_gamma 60.480024699999994
_... |
MoveSelectedAtomsAction | b637b037-b7fa-4b4c-a0d0-b7fa9e8d4315 | mp-1101787 | Move atoms at indices [3] by [-4.286 4.539 0.42 ] angstrom in the cif file. | data_image0
_chemical_formula_structural La2Si10
_chemical_formula_sum "La2 Si10"
_cell_length_a 7.8028555
_cell_length_b 7.8028555
_cell_length_c 8.434587650000001
_cell_angle_alpha 72.19401657999998
_cell_angle_beta 72.19401657999998
_cell_angle_gamma 29.62230927999999
... | data_image0
_chemical_formula_structural La2Si10
_chemical_formula_sum "La2 Si10"
_cell_length_a 7.8028555
_cell_length_b 7.8028555
_cell_length_c 8.434587650000001
_cell_angle_alpha 72.19401657999998
_cell_angle_beta 72.19401657999998
_cell_angle_gamma 29.62230927999999
... |
MoveSelectedAtomsAction | 94f5000b-df3b-453c-b98d-6644afb30736 | mp-1003545 | Move atoms at indices [11, 7, 12, 0] by [-0.982 -0.369 -2.977] angstrom in the cif file. | data_image0
_chemical_formula_structural MgMn4O8
_chemical_formula_sum "Mg1 Mn4 O8"
_cell_length_a 5.279668
_cell_length_b 5.81958142
_cell_length_c 5.97625424
_cell_angle_alpha 117.59770881999998
_cell_angle_beta 89.56144663
_cell_angle_gamma 108.09900792999998
_space_gr... | data_image0
_chemical_formula_structural MgMn4O8
_chemical_formula_sum "Mg1 Mn4 O8"
_cell_length_a 5.279668
_cell_length_b 5.81958142
_cell_length_c 5.97625424
_cell_angle_alpha 117.59770881999998
_cell_angle_beta 89.56144663
_cell_angle_gamma 108.09900792999998
_space_gr... |
MoveSelectedAtomsAction | d2f1d441-362b-4478-b0f5-b54b1e2f15b9 | mp-1304002 | Move atoms at indices [4, 15, 11, 16, 3, 9, 22] by [-0.013 -1.786 2.087] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Ni6Bi2O16
_chemical_formula_sum "Li8 Ni6 Bi2 O16"
_cell_length_a 6.0442901
_cell_length_b 10.53646859
_cell_length_c 6.043567809999999
_cell_angle_alpha 89.93949378
_cell_angle_beta 119.6129118
_cell_angle_gamma 73.1877394
_spac... | data_image0
_chemical_formula_structural Li8Ni6Bi2O16
_chemical_formula_sum "Li8 Ni6 Bi2 O16"
_cell_length_a 6.0442901
_cell_length_b 10.53646859
_cell_length_c 6.043567809999999
_cell_angle_alpha 89.93949378
_cell_angle_beta 119.6129118
_cell_angle_gamma 73.1877394
_spac... |
MoveSelectedAtomsAction | 6132a3f5-84b0-47ed-86db-f41295f8267e | mp-1110899 | Move atoms at indices [0, 8, 1, 7, 3, 5, 4, 6, 2] by [1.763 4.061 1.99 ] angstrom in the cif file. | data_image0
_chemical_formula_structural K2LiSbBr6
_chemical_formula_sum "K2 Li1 Sb1 Br6"
_cell_length_a 7.82342236
_cell_length_b 7.82342236
_cell_length_c 7.823422360000001
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... | data_image0
_chemical_formula_structural K2LiSbBr6
_chemical_formula_sum "K2 Li1 Sb1 Br6"
_cell_length_a 7.82342236
_cell_length_b 7.82342236
_cell_length_c 7.823422360000001
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... |
MoveSelectedAtomsAction | b55885e3-cc1f-414f-b07e-0bee60176ff3 | mp-1236786 | Move atoms at indices [12, 13, 3, 5, 1, 10, 9] by [-2.371 0.004 -0.432] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb3LiTbV2O8
_chemical_formula_sum "Rb3 Li1 Tb1 V2 O8"
_cell_length_a 5.97403382
_cell_length_b 5.97403382
_cell_length_c 9.136743
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999801
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Rb3LiTbV2O8
_chemical_formula_sum "Rb3 Li1 Tb1 V2 O8"
_cell_length_a 5.97403382
_cell_length_b 5.97403382
_cell_length_c 9.136743
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999801
_space_group_name_H-M_alt... |
MoveSelectedAtomsAction | ba7a3d57-886e-4382-80cb-639d6b811cb0 | mp-2229527 | Move atoms at indices [3, 1, 0, 10, 8, 6, 11, 12, 2, 13, 5, 16] by [0.803 0.479 1.036] angstrom in the cif file. | data_image0
_chemical_formula_structural MgV2S4N6Cl4
_chemical_formula_sum "Mg1 V2 S4 N6 Cl4"
_cell_length_a 5.82992381
_cell_length_b 7.542384219999999
_cell_length_c 8.391765299999998
_cell_angle_alpha 93.86912929000002
_cell_angle_beta 98.64564997
_cell_angle_gamma 111.... | data_image0
_chemical_formula_structural MgV2S4N6Cl4
_chemical_formula_sum "Mg1 V2 S4 N6 Cl4"
_cell_length_a 5.82992381
_cell_length_b 7.542384219999999
_cell_length_c 8.391765299999998
_cell_angle_alpha 93.86912929000002
_cell_angle_beta 98.64564997
_cell_angle_gamma 111.... |
MoveSelectedAtomsAction | b415c493-f867-4657-bea2-6b4d1f6bdf78 | mp-3276 | Move atoms at indices [20, 12, 7, 21] by [-4.077 1.026 1.247] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb8Cr4Si10
_chemical_formula_sum "Nb8 Cr4 Si10"
_cell_length_a 9.38583208
_cell_length_b 9.38583208
_cell_length_c 9.38583208
_cell_angle_alpha 149.36626784000003
_cell_angle_beta 130.27220938
_cell_angle_gamma 59.54496795
_space_g... | data_image0
_chemical_formula_structural Nb8Cr4Si10
_chemical_formula_sum "Nb8 Cr4 Si10"
_cell_length_a 9.38583208
_cell_length_b 9.38583208
_cell_length_c 9.38583208
_cell_angle_alpha 149.36626784000003
_cell_angle_beta 130.27220938
_cell_angle_gamma 59.54496795
_space_g... |
MoveSelectedAtomsAction | a5ab0ad1-8488-44d5-80b0-55c1755b198f | mp-1209674 | Move atoms at indices [40, 5, 2, 48, 9, 18, 29, 26, 10, 35, 17, 6, 42, 47, 41, 0, 31, 46, 13, 16, 7, 30, 37, 8, 51, 44, 1, 38, 27, 33, 3, 20, 19, 32, 11, 34, 43, 22, 15, 24, 36, 28, 4, 49, 39, 21, 23, 12] by [-2.648 -3.608 3.186] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb4Er4S8O36
_chemical_formula_sum "Rb4 Er4 S8 O36"
_cell_length_a 8.557369
_cell_length_b 10.59367819
_cell_length_c 10.1539343
_cell_angle_alpha 120.17599367000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Rb4Er4S8O36
_chemical_formula_sum "Rb4 Er4 S8 O36"
_cell_length_a 8.557369
_cell_length_b 10.59367819
_cell_length_c 10.1539343
_cell_angle_alpha 120.17599367000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
MoveSelectedAtomsAction | 77aa114c-9745-4c43-8475-e610e78c387b | mp-1046822 | Move atoms at indices [7, 21, 13, 0, 5, 15, 1, 19, 2, 3, 23, 11] by [-2.257 0.106 3.463] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4Nb4Mo2O16
_chemical_formula_sum "Mg4 Nb4 Mo2 O16"
_cell_length_a 10.20057655
_cell_length_b 10.20057655
_cell_length_c 5.3367818399999996
_cell_angle_alpha 89.64553634000002
_cell_angle_beta 89.64553634000002
_cell_angle_gamma 34... | data_image0
_chemical_formula_structural Mg4Nb4Mo2O16
_chemical_formula_sum "Mg4 Nb4 Mo2 O16"
_cell_length_a 10.20057655
_cell_length_b 10.20057655
_cell_length_c 5.3367818399999996
_cell_angle_alpha 89.64553634000002
_cell_angle_beta 89.64553634000002
_cell_angle_gamma 34... |
MoveSelectedAtomsAction | d0fdcb6a-d41a-483e-89cf-79b3b4a89e14 | mp-680260 | Move atoms at indices [2, 43, 11, 3, 14, 49, 36, 55, 15] by [ 0.015 -3.861 1.686] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti45Se16
_chemical_formula_sum "Ti45 Se16"
_cell_length_a 3.46536314
_cell_length_b 16.45968269
_cell_length_c 17.78670843
_cell_angle_alpha 91.56831076999998
_cell_angle_beta 95.59008839999998
_cell_angle_gamma 90.00577845
_space_... | data_image0
_chemical_formula_structural Ti45Se16
_chemical_formula_sum "Ti45 Se16"
_cell_length_a 3.46536314
_cell_length_b 16.45968269
_cell_length_c 17.78670843
_cell_angle_alpha 91.56831076999998
_cell_angle_beta 95.59008839999998
_cell_angle_gamma 90.00577845
_space_... |
MoveSelectedAtomsAction | eac4425a-96b0-4931-955b-13aaadcdd70a | mp-756331 | Move atoms at indices [17, 26, 4] by [-0.502 -3.147 1.942] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Ti3Co5O16
_chemical_formula_sum "Li4 Ti3 Co5 O16"
_cell_length_a 5.72685104
_cell_length_b 5.726851039999999
_cell_length_c 9.31004518
_cell_angle_alpha 89.68678152000001
_cell_angle_beta 89.68678152000001
_cell_angle_gamma 60.89... | data_image0
_chemical_formula_structural Li4Ti3Co5O16
_chemical_formula_sum "Li4 Ti3 Co5 O16"
_cell_length_a 5.72685104
_cell_length_b 5.726851039999999
_cell_length_c 9.31004518
_cell_angle_alpha 89.68678152000001
_cell_angle_beta 89.68678152000001
_cell_angle_gamma 60.89... |
MoveSelectedAtomsAction | da068b98-9cdf-4cca-bbe1-0e5f07d6ce11 | mp-1227411 | Move atoms at indices [11, 10, 3] by [-1.128 0.281 -0.131] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Sr2Ni2W2O12
_chemical_formula_sum "Ba2 Sr2 Ni2 W2 O12"
_cell_length_a 5.73439911
_cell_length_b 5.73435315
_cell_length_c 9.9321412
_cell_angle_alpha 73.22091339
_cell_angle_beta 90.00004487000001
_cell_angle_gamma 59.99966143999... | data_image0
_chemical_formula_structural Ba2Sr2Ni2W2O12
_chemical_formula_sum "Ba2 Sr2 Ni2 W2 O12"
_cell_length_a 5.73439911
_cell_length_b 5.73435315
_cell_length_c 9.9321412
_cell_angle_alpha 73.22091339
_cell_angle_beta 90.00004487000001
_cell_angle_gamma 59.99966143999... |
MoveSelectedAtomsAction | ec2a6843-3499-4a5f-beaf-750c2de073f6 | mp-1029771 | Move atoms at indices [8, 0, 4, 10, 5, 17, 23, 3, 14, 19, 20, 21, 15] by [ 1.865 2. -0.797] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca8Re4N12
_chemical_formula_sum "Ca8 Re4 N12"
_cell_length_a 6.06534937
_cell_length_b 10.75755626
_cell_length_c 12.34777212
_cell_angle_alpha 89.98624235
_cell_angle_beta 89.98780477000001
_cell_angle_gamma 27.525234260000015
_sp... | data_image0
_chemical_formula_structural Ca8Re4N12
_chemical_formula_sum "Ca8 Re4 N12"
_cell_length_a 6.06534937
_cell_length_b 10.75755626
_cell_length_c 12.34777212
_cell_angle_alpha 89.98624235
_cell_angle_beta 89.98780477000001
_cell_angle_gamma 27.525234260000015
_sp... |
MoveSelectedAtomsAction | 47fd0bc4-38b6-4d70-ad2c-d8481c07363f | mp-863407 | Move atoms at indices [55, 41, 34, 54, 12, 39, 51, 17] by [ 0.378 -0.88 1.132] angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Fe6Si12O36
_chemical_formula_sum "Li12 Fe6 Si12 O36"
_cell_length_a 7.188922
_cell_length_b 9.89052
_cell_length_c 10.284294
_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 Li12Fe6Si12O36
_chemical_formula_sum "Li12 Fe6 Si12 O36"
_cell_length_a 7.188922
_cell_length_b 9.89052
_cell_length_c 10.284294
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveSelectedAtomsAction | 6db3d345-7c76-4c2f-9ae0-961414f4ef37 | mp-625502 | Move atoms at indices [21, 15, 13, 7, 1] by [-0.947 -1.482 -0.157] angstrom in the cif file. | data_image0
_chemical_formula_structural H4W4O14
_chemical_formula_sum "H4 W4 O14"
_cell_length_a 7.35320502
_cell_length_b 7.35320502
_cell_length_c 7.35320502
_cell_angle_alpha 119.62842942999998
_cell_angle_beta 119.62842942999998
_cell_angle_gamma 90.64479304999999
_s... | data_image0
_chemical_formula_structural H4W4O14
_chemical_formula_sum "H4 W4 O14"
_cell_length_a 7.35320502
_cell_length_b 7.35320502
_cell_length_c 7.35320502
_cell_angle_alpha 119.62842942999998
_cell_angle_beta 119.62842942999998
_cell_angle_gamma 90.64479304999999
_s... |
MoveSelectedAtomsAction | e966fec5-59bf-49ad-a92b-4aa43f3a611e | mp-1189241 | Move atoms at indices [14] by [-1.17 1.802 -1.686] angstrom in the cif file. | data_image0
_chemical_formula_structural Gd4As8Au4
_chemical_formula_sum "Gd4 As8 Au4"
_cell_length_a 4.04655659
_cell_length_b 4.04655659
_cell_length_c 20.504219
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.1389069
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Gd4As8Au4
_chemical_formula_sum "Gd4 As8 Au4"
_cell_length_a 4.04655659
_cell_length_b 4.04655659
_cell_length_c 20.504219
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.1389069
_space_group_name_H-M_alt "P 1"... |
MoveSelectedAtomsAction | 43c41c3c-abc3-4731-96b7-7076ca8bc725 | mp-1304294 | Move atoms at indices [2, 0, 4, 11, 1, 10, 9] by [ 0.439 -1.014 -0.151] angstrom in the cif file. | data_image0
_chemical_formula_structural Li3Mn2CoO6
_chemical_formula_sum "Li3 Mn2 Co1 O6"
_cell_length_a 5.23924799
_cell_length_b 5.25225266
_cell_length_c 5.10120777
_cell_angle_alpha 59.026436149999995
_cell_angle_beta 101.16203305000002
_cell_angle_gamma 112.05130355
... | data_image0
_chemical_formula_structural Li3Mn2CoO6
_chemical_formula_sum "Li3 Mn2 Co1 O6"
_cell_length_a 5.23924799
_cell_length_b 5.25225266
_cell_length_c 5.10120777
_cell_angle_alpha 59.026436149999995
_cell_angle_beta 101.16203305000002
_cell_angle_gamma 112.05130355
... |
MoveSelectedAtomsAction | 3f2fc97a-7746-4f8d-b663-a484487341a9 | mp-1220773 | Move atoms at indices [16, 7, 24, 44, 31, 46, 3, 48, 6, 5, 43, 40, 51, 35, 45, 39, 25, 56, 2, 15, 38, 28, 13, 1, 10, 9, 37] by [ 2.325 -0.165 1.596] angstrom in the cif file. | data_image0
_chemical_formula_structural Ni43Ge3B12
_chemical_formula_sum "Ni43 Ge3 B12"
_cell_length_a 12.81606664
_cell_length_b 12.816066640000003
_cell_length_c 12.81606681
_cell_angle_alpha 33.555098560000026
_cell_angle_beta 33.55509856000001
_cell_angle_gamma 33.555... | data_image0
_chemical_formula_structural Ni43Ge3B12
_chemical_formula_sum "Ni43 Ge3 B12"
_cell_length_a 12.81606664
_cell_length_b 12.816066640000003
_cell_length_c 12.81606681
_cell_angle_alpha 33.555098560000026
_cell_angle_beta 33.55509856000001
_cell_angle_gamma 33.555... |
MoveSelectedAtomsAction | a1196f33-4438-448b-aeec-75dee0829d57 | mp-1246779 | Move atoms at indices [24, 20, 11, 15, 2, 12, 6, 18, 14, 16, 1, 5, 0, 3, 13, 10, 22] by [0.014 3.879 1.319] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba10Hf4N12
_chemical_formula_sum "Ba10 Hf4 N12"
_cell_length_a 6.76065813
_cell_length_b 7.47593269
_cell_length_c 14.96414338
_cell_angle_alpha 89.99999939
_cell_angle_beta 95.29358311
_cell_angle_gamma 123.56617759
_space_group_n... | data_image0
_chemical_formula_structural Ba10Hf4N12
_chemical_formula_sum "Ba10 Hf4 N12"
_cell_length_a 6.76065813
_cell_length_b 7.47593269
_cell_length_c 14.96414338
_cell_angle_alpha 89.99999939
_cell_angle_beta 95.29358311
_cell_angle_gamma 123.56617759
_space_group_n... |
MoveSelectedAtomsAction | d529f7a2-a50e-457c-a468-b17bd0e0fd63 | mp-11639 | Move atoms at indices [2] by [ 3.71 0.334 -1.408] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb4Ge2S6
_chemical_formula_sum "Rb4 Ge2 S6"
_cell_length_a 6.94579339
_cell_length_b 7.60679798
_cell_length_c 8.73518639
_cell_angle_alpha 72.50630257999998
_cell_angle_beta 66.57329911000001
_cell_angle_gamma 62.83517662
_space_g... | data_image0
_chemical_formula_structural Rb4Ge2S6
_chemical_formula_sum "Rb4 Ge2 S6"
_cell_length_a 6.94579339
_cell_length_b 7.60679798
_cell_length_c 8.73518639
_cell_angle_alpha 72.50630257999998
_cell_angle_beta 66.57329911000001
_cell_angle_gamma 62.83517662
_space_g... |
MoveSelectedAtomsAction | b0240048-dfbe-4399-a084-25c466c541a6 | mp-697575 | Move atoms at indices [25, 20, 15, 9, 10, 1, 22, 27, 4, 21, 23, 19, 26, 16, 18, 5] by [ 1.408 1.866 -2.103] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb8Zn4H16
_chemical_formula_sum "Rb8 Zn4 H16"
_cell_length_a 6.00913377
_cell_length_b 8.13409839
_cell_length_c 10.5742028
_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 Rb8Zn4H16
_chemical_formula_sum "Rb8 Zn4 H16"
_cell_length_a 6.00913377
_cell_length_b 8.13409839
_cell_length_c 10.5742028
_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 | db097bbc-36e4-49a0-bac5-f99bef470f15 | mp-1200784 | Move atoms at indices [36, 22, 35, 11, 14, 19] by [ 2.008 0.276 -1.99 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Sn2H12Cl4O22
_chemical_formula_sum "Sn2 H12 Cl4 O22"
_cell_length_a 7.26600482
_cell_length_b 7.26600482
_cell_length_c 9.984168
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000751
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sn2H12Cl4O22
_chemical_formula_sum "Sn2 H12 Cl4 O22"
_cell_length_a 7.26600482
_cell_length_b 7.26600482
_cell_length_c 9.984168
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000751
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | a80a1374-ebba-45cc-a45d-4c5078719188 | mp-3824 | Move atoms at indices [0, 6, 12, 10] by [ 0.085 -6.731 0.049] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta9Ni2S6
_chemical_formula_sum "Ta9 Ni2 S6"
_cell_length_a 10.1498084
_cell_length_b 10.1498084
_cell_length_c 3.38631625
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999389
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Ta9Ni2S6
_chemical_formula_sum "Ta9 Ni2 S6"
_cell_length_a 10.1498084
_cell_length_b 10.1498084
_cell_length_c 3.38631625
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999389
_space_group_name_H-M_alt "P 1... |
MoveSelectedAtomsAction | e099e843-a407-472a-bdd5-d0f4d587a292 | mp-758121 | Move atoms at indices [14, 3, 24, 0, 19, 16, 4, 22, 17, 7, 27, 20, 21, 25, 11, 9, 10, 12, 18, 15, 8, 5, 1, 2, 26, 13] by [ 1.948 0.531 -0.424] 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 | a898520a-08c8-4151-93d4-ea5889160d86 | mp-1218172 | Move atoms at indices [19, 2, 5, 6, 12, 22, 15, 23, 17, 4] by [-2.156 0.265 1.19 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2Nd2Al6O14
_chemical_formula_sum "Sr2 Nd2 Al6 O14"
_cell_length_a 7.9182988
_cell_length_b 7.9182988
_cell_length_c 5.241025
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.23993485999999
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Sr2Nd2Al6O14
_chemical_formula_sum "Sr2 Nd2 Al6 O14"
_cell_length_a 7.9182988
_cell_length_b 7.9182988
_cell_length_c 5.241025
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.23993485999999
_space_group_name_H-M_a... |
MoveSelectedAtomsAction | 759f096c-a9f1-4989-a7a1-13fd6a1d40e8 | mp-1214420 | Move atoms at indices [14, 1, 3, 11, 0, 15, 5, 2, 6, 4, 9] by [-3.409 -1.825 3.161] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Hf2F12
_chemical_formula_sum "Ba2 Hf2 F12"
_cell_length_a 6.86460262
_cell_length_b 6.864602619999999
_cell_length_c 5.46341565
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.32893431999999
_space_group_name_... | data_image0
_chemical_formula_structural Ba2Hf2F12
_chemical_formula_sum "Ba2 Hf2 F12"
_cell_length_a 6.86460262
_cell_length_b 6.864602619999999
_cell_length_c 5.46341565
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.32893431999999
_space_group_name_... |
MoveSelectedAtomsAction | 19377992-d5dc-43b0-ac16-d4ab79287882 | mp-29802 | Move atoms at indices [5, 27, 37, 41, 17, 45, 23, 21, 20, 12, 3, 51, 48, 4, 29] by [-1.998 -4.67 -1.861] angstrom in the cif file. | data_image0
_chemical_formula_structural Sc4Ni24Ge24
_chemical_formula_sum "Sc4 Ni24 Ge24"
_cell_length_a 10.21227785
_cell_length_b 10.21227785
_cell_length_c 7.825573
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999899999999
_space_group_name_H-M... | data_image0
_chemical_formula_structural Sc4Ni24Ge24
_chemical_formula_sum "Sc4 Ni24 Ge24"
_cell_length_a 10.21227785
_cell_length_b 10.21227785
_cell_length_c 7.825573
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999899999999
_space_group_name_H-M... |
MoveSelectedAtomsAction | 589dea30-bac5-4b98-b471-fbad82373636 | mp-1211877 | Move atoms at indices [1, 14, 25, 10, 11, 24, 17, 12, 26, 19, 4, 8, 20, 9, 15, 0, 18, 23, 16, 5, 21, 7, 6, 2, 27] by [ 3.723 -3.048 -0.484] angstrom in the cif file. | data_image0
_chemical_formula_structural K4P2H6Se2O16
_chemical_formula_sum "K4 P2 H6 Se2 O16"
_cell_length_a 7.602825
_cell_length_b 7.395724
_cell_length_c 9.70472644
_cell_angle_alpha 51.12925917
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4P2H6Se2O16
_chemical_formula_sum "K4 P2 H6 Se2 O16"
_cell_length_a 7.602825
_cell_length_b 7.395724
_cell_length_c 9.70472644
_cell_angle_alpha 51.12925917
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 996360fa-8bf3-44fb-866c-92a94d0f06fa | mp-774656 | Move atoms at indices [14, 19, 27, 7, 4, 5, 9, 0, 11, 3, 2, 12, 26, 10, 16, 1, 24, 18, 21, 23, 20, 8] by [-0.797 -1.392 -2.614] angstrom in the cif file. | data_image0
_chemical_formula_structural Li5Ti6FeO16
_chemical_formula_sum "Li5 Ti6 Fe1 O16"
_cell_length_a 5.9718
_cell_length_b 5.956294
_cell_length_c 8.45482215
_cell_angle_alpha 89.67128089000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li5Ti6FeO16
_chemical_formula_sum "Li5 Ti6 Fe1 O16"
_cell_length_a 5.9718
_cell_length_b 5.956294
_cell_length_c 8.45482215
_cell_angle_alpha 89.67128089000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | bfd90582-008d-4c8f-8686-76a038cfcf37 | mp-1442904 | Move atoms at indices [4, 8, 7, 9, 12, 0, 3, 1, 13, 10, 11] by [ 0.729 1.54 -1.541] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2Cu2F10
_chemical_formula_sum "Ca2 Cu2 F10"
_cell_length_a 5.544288
_cell_length_b 5.55540198
_cell_length_c 7.71083208
_cell_angle_alpha 69.38132926
_cell_angle_beta 69.63660232
_cell_angle_gamma 71.15789169
_space_group_name_H-... | data_image0
_chemical_formula_structural Ca2Cu2F10
_chemical_formula_sum "Ca2 Cu2 F10"
_cell_length_a 5.544288
_cell_length_b 5.55540198
_cell_length_c 7.71083208
_cell_angle_alpha 69.38132926
_cell_angle_beta 69.63660232
_cell_angle_gamma 71.15789169
_space_group_name_H-... |
MoveSelectedAtomsAction | b6362396-368b-4e4d-bae1-a374d12fd98d | mp-1190477 | Move atoms at indices [9, 13, 8, 23, 14, 17, 19] by [ 0.111 2.337 -0.918] angstrom in the cif file. | data_image0
_chemical_formula_structural K2Li2C8N12
_chemical_formula_sum "K2 Li2 C8 N12"
_cell_length_a 7.284131
_cell_length_b 7.284131
_cell_length_c 8.7752841
_cell_angle_alpha 114.52163517
_cell_angle_beta 114.52163517
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural K2Li2C8N12
_chemical_formula_sum "K2 Li2 C8 N12"
_cell_length_a 7.284131
_cell_length_b 7.284131
_cell_length_c 8.7752841
_cell_angle_alpha 114.52163517
_cell_angle_beta 114.52163517
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveSelectedAtomsAction | c9d9c23d-6150-4143-a3b3-be7ff75dfdc5 | mp-28297 | Move atoms at indices [31, 7, 23, 26, 18, 0, 6, 28, 37, 4, 13, 32, 8, 17, 5, 1, 34, 22, 19, 29, 2, 33, 21, 3, 25, 16, 27, 38] by [-2.378 -0.128 2.461] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd12S8Br20
_chemical_formula_sum "Nd12 S8 Br20"
_cell_length_a 6.927289
_cell_length_b 7.256481
_cell_length_c 22.787283
_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 Nd12S8Br20
_chemical_formula_sum "Nd12 S8 Br20"
_cell_length_a 6.927289
_cell_length_b 7.256481
_cell_length_c 22.787283
_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 | 9b54600e-6816-4ce2-87bb-81a78f066c7d | mp-1193572 | Move atoms at indices [15, 28, 0, 4, 16] by [-3.058 -1.416 -0.427] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg2Mo4N4O20
_chemical_formula_sum "Mg2 Mo4 N4 O20"
_cell_length_a 5.91235041
_cell_length_b 6.43273011
_cell_length_c 15.561932
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.16113344000001
_space_group_name_H-M... | data_image0
_chemical_formula_structural Mg2Mo4N4O20
_chemical_formula_sum "Mg2 Mo4 N4 O20"
_cell_length_a 5.91235041
_cell_length_b 6.43273011
_cell_length_c 15.561932
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.16113344000001
_space_group_name_H-M... |
MoveSelectedAtomsAction | 487aa26c-0fe8-4715-a936-ba3ebfda5174 | mp-1213210 | Move atoms at indices [41, 2, 39, 18, 30, 12, 55, 16, 14, 0, 28, 7, 48, 43, 35, 20, 13, 23, 44, 50, 54, 24, 25, 5, 52, 38, 29, 53, 9, 32, 36, 37, 45, 42, 10, 17, 1, 8, 3] by [-1.177 -1.982 -3.268] angstrom in the cif file. | data_image0
_chemical_formula_structural Dy4Au10F42
_chemical_formula_sum "Dy4 Au10 F42"
_cell_length_a 8.107794
_cell_length_b 9.192033930000001
_cell_length_c 12.15973612
_cell_angle_alpha 89.14093032999999
_cell_angle_beta 88.92043854
_cell_angle_gamma 88.90685491999999... | data_image0
_chemical_formula_structural Dy4Au10F42
_chemical_formula_sum "Dy4 Au10 F42"
_cell_length_a 8.107794
_cell_length_b 9.192033930000001
_cell_length_c 12.15973612
_cell_angle_alpha 89.14093032999999
_cell_angle_beta 88.92043854
_cell_angle_gamma 88.90685491999999... |
MoveSelectedAtomsAction | 6c170a0d-5e77-49f3-a0b9-d5ccd7b8dd79 | mp-1094347 | Move atoms at indices [0, 1] by [-1.000e-03 -2.202e+00 4.698e+00] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg6Ti6
_chemical_formula_sum "Mg6 Ti6"
_cell_length_a 4.882673
_cell_length_b 5.098113
_cell_length_c 9.429558
_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 Mg6Ti6
_chemical_formula_sum "Mg6 Ti6"
_cell_length_a 4.882673
_cell_length_b 5.098113
_cell_length_c 9.429558
_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 | 3e8a6481-47ba-4a2d-af23-842c7b41bf2a | mp-1028120 | Move atoms at indices [8, 5, 11, 4, 10, 9, 1, 2, 14, 6] by [ 2.662 -0.09 -0.834] angstrom in the cif file. | data_image0
_chemical_formula_structural CaMg14C
_chemical_formula_sum "Ca1 Mg14 C1"
_cell_length_a 6.42100773
_cell_length_b 6.4210072
_cell_length_c 10.03864201
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000277
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural CaMg14C
_chemical_formula_sum "Ca1 Mg14 C1"
_cell_length_a 6.42100773
_cell_length_b 6.4210072
_cell_length_c 10.03864201
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000277
_space_group_name_H-M_alt "P 1... |
MoveSelectedAtomsAction | fbec3394-071a-459b-a073-5d1461413212 | mp-1219272 | Move atoms at indices [40, 23, 41, 1, 8, 30, 31, 15, 6, 34, 5] by [-0.886 0.879 -2.257] angstrom in the cif file. | data_image0
_chemical_formula_structural Sm4CrFe33C4
_chemical_formula_sum "Sm4 Cr1 Fe33 C4"
_cell_length_a 6.50403639
_cell_length_b 6.48021192
_cell_length_c 13.00634797
_cell_angle_alpha 83.55663481
_cell_angle_beta 83.5493849
_cell_angle_gamma 83.68356637
_space_group... | data_image0
_chemical_formula_structural Sm4CrFe33C4
_chemical_formula_sum "Sm4 Cr1 Fe33 C4"
_cell_length_a 6.50403639
_cell_length_b 6.48021192
_cell_length_c 13.00634797
_cell_angle_alpha 83.55663481
_cell_angle_beta 83.5493849
_cell_angle_gamma 83.68356637
_space_group... |
MoveSelectedAtomsAction | 0bba5a07-be51-47ba-a84e-9ae73ac286ab | mp-20399 | Move atoms at indices [1] by [-1.097 -0.344 -4.85 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Mn2Mo2O12
_chemical_formula_sum "Ba4 Mn2 Mo2 O12"
_cell_length_a 5.88137151
_cell_length_b 5.88137067
_cell_length_c 10.18683375
_cell_angle_alpha 106.77865099
_cell_angle_beta 73.22134409
_cell_angle_gamma 119.99999968
_space_g... | data_image0
_chemical_formula_structural Ba4Mn2Mo2O12
_chemical_formula_sum "Ba4 Mn2 Mo2 O12"
_cell_length_a 5.88137151
_cell_length_b 5.88137067
_cell_length_c 10.18683375
_cell_angle_alpha 106.77865099
_cell_angle_beta 73.22134409
_cell_angle_gamma 119.99999968
_space_g... |
MoveSelectedAtomsAction | c34a02de-eb53-4203-adee-5930f0d39e78 | mp-20014 | Move atoms at indices [5, 25, 12, 21, 27, 19, 0, 31, 29, 7, 30, 32, 35, 8, 15, 38, 2, 33, 20, 26, 3, 34, 18] by [ 0.63 -0.907 1.795] angstrom in the cif file. | data_image0
_chemical_formula_structural Al4V4Mo4O28
_chemical_formula_sum "Al4 V4 Mo4 O28"
_cell_length_a 5.451499
_cell_length_b 8.304975
_cell_length_c 12.961972
_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 Al4V4Mo4O28
_chemical_formula_sum "Al4 V4 Mo4 O28"
_cell_length_a 5.451499
_cell_length_b 8.304975
_cell_length_c 12.961972
_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 | 4316d011-c844-4354-8bb7-3096a6904c9c | mp-759254 | Move atoms at indices [41, 43, 21, 19, 33, 14, 16, 54, 67, 70, 53, 22, 13, 71, 32, 38, 51, 47, 15, 59, 35, 24, 26, 28, 11, 57, 68, 29, 6] by [-1.125 -2.583 2.068] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Bi8P14O48
_chemical_formula_sum "Li2 Bi8 P14 O48"
_cell_length_a 11.00550326
_cell_length_b 11.136804660000001
_cell_length_c 11.62396838
_cell_angle_alpha 112.28091033
_cell_angle_beta 108.88945785
_cell_angle_gamma 104.86187664... | data_image0
_chemical_formula_structural Li2Bi8P14O48
_chemical_formula_sum "Li2 Bi8 P14 O48"
_cell_length_a 11.00550326
_cell_length_b 11.136804660000001
_cell_length_c 11.62396838
_cell_angle_alpha 112.28091033
_cell_angle_beta 108.88945785
_cell_angle_gamma 104.86187664... |
MoveSelectedAtomsAction | 0b65201f-6ac1-4ade-872a-0531f213d1cc | mp-1189578 | Move atoms at indices [16, 18, 8, 19, 10, 7, 0, 9, 11, 17, 6] by [-0.473 -0.349 -1.925] angstrom in the cif file. | data_image0
_chemical_formula_structural V4N4O12
_chemical_formula_sum "V4 N4 O12"
_cell_length_a 5.219632
_cell_length_b 12.524772
_cell_length_c 6.098239
_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 V4N4O12
_chemical_formula_sum "V4 N4 O12"
_cell_length_a 5.219632
_cell_length_b 12.524772
_cell_length_c 6.098239
_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 | 5684dc3b-1498-491d-8dc8-b79296b4b84f | mp-557589 | Move atoms at indices [33, 40, 23, 17, 3, 16, 48, 1] by [-1.203 -4.91 2.082] angstrom in the cif file. | data_image0
_chemical_formula_structural Tl4Zn4P12O36
_chemical_formula_sum "Tl4 Zn4 P12 O36"
_cell_length_a 5.225835
_cell_length_b 12.118744
_cell_length_c 13.154656
_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 Tl4Zn4P12O36
_chemical_formula_sum "Tl4 Zn4 P12 O36"
_cell_length_a 5.225835
_cell_length_b 12.118744
_cell_length_c 13.154656
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveSelectedAtomsAction | da9bfb41-d460-4326-9844-547e3888478d | mp-2220314 | Move atoms at indices [10, 29, 2, 9] by [3.272 3.201 0.11 ] angstrom in the cif file. | data_image0
_chemical_formula_structural MgFe12O12F12
_chemical_formula_sum "Mg1 Fe12 O12 F12"
_cell_length_a 9.56777255
_cell_length_b 14.660525789999998
_cell_length_c 3.10437
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 91.46622766
_space_group_name_H... | data_image0
_chemical_formula_structural MgFe12O12F12
_chemical_formula_sum "Mg1 Fe12 O12 F12"
_cell_length_a 9.56777255
_cell_length_b 14.660525789999998
_cell_length_c 3.10437
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 91.46622766
_space_group_name_H... |
MoveSelectedAtomsAction | 9c241728-e2fc-42fa-98b4-ce5ca04758ca | mp-27362 | Move atoms at indices [5, 3, 6, 0, 8, 1] by [-1.294 0.369 -1.192] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb2S4Cl4
_chemical_formula_sum "Nb2 S4 Cl4"
_cell_length_a 6.32291907
_cell_length_b 6.427755
_cell_length_c 7.03413439
_cell_angle_alpha 79.78236948
_cell_angle_beta 68.85944313000002
_cell_angle_gamma 60.538071820000006
_space_gr... | data_image0
_chemical_formula_structural Nb2S4Cl4
_chemical_formula_sum "Nb2 S4 Cl4"
_cell_length_a 6.32291907
_cell_length_b 6.427755
_cell_length_c 7.03413439
_cell_angle_alpha 79.78236948
_cell_angle_beta 68.85944313000002
_cell_angle_gamma 60.538071820000006
_space_gr... |
MoveSelectedAtomsAction | 088d90c9-d8be-48f3-81ff-b96500120738 | mp-1103827 | Move atoms at indices [1, 9, 11, 8, 4, 6, 0, 5, 13] by [-0.134 -0.818 1.945] angstrom in the cif file. | data_image0
_chemical_formula_structural Cu2N4F8
_chemical_formula_sum "Cu2 N4 F8"
_cell_length_a 6.85040463
_cell_length_b 6.85040463
_cell_length_c 5.730675
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 130.56855975000002
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Cu2N4F8
_chemical_formula_sum "Cu2 N4 F8"
_cell_length_a 6.85040463
_cell_length_b 6.85040463
_cell_length_c 5.730675
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 130.56855975000002
_space_group_name_H-M_alt "P... |
MoveSelectedAtomsAction | 512904c3-c78c-4359-a7c0-3a975c40dc7e | mp-1189829 | Move atoms at indices [3, 10, 7, 11, 9, 6, 12, 15] by [ 0.325 -1.774 -1.493] angstrom in the cif file. | data_image0
_chemical_formula_structural U4Ge8Ir4
_chemical_formula_sum "U4 Ge8 Ir4"
_cell_length_a 4.341078
_cell_length_b 8.796164
_cell_length_c 9.39900152
_cell_angle_alpha 117.90006183999999
_cell_angle_beta 103.35200369999998
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural U4Ge8Ir4
_chemical_formula_sum "U4 Ge8 Ir4"
_cell_length_a 4.341078
_cell_length_b 8.796164
_cell_length_c 9.39900152
_cell_angle_alpha 117.90006183999999
_cell_angle_beta 103.35200369999998
_cell_angle_gamma 90.0
_space_group_name... |
MoveSelectedAtomsAction | 4b82bbf8-12a5-43eb-b9c0-d016a3aa570a | mp-1200008 | Move atoms at indices [50] by [ 0.779 4.678 -1.846] angstrom in the cif file. | data_image0
_chemical_formula_structural Pu4P8H16C4O28
_chemical_formula_sum "Pu4 P8 H16 C4 O28"
_cell_length_a 8.84722716
_cell_length_b 8.86947314
_cell_length_c 9.753096969999998
_cell_angle_alpha 71.10712759
_cell_angle_beta 71.73905019
_cell_angle_gamma 81.69825214
_... | data_image0
_chemical_formula_structural Pu4P8H16C4O28
_chemical_formula_sum "Pu4 P8 H16 C4 O28"
_cell_length_a 8.84722716
_cell_length_b 8.86947314
_cell_length_c 9.753096969999998
_cell_angle_alpha 71.10712759
_cell_angle_beta 71.73905019
_cell_angle_gamma 81.69825214
_... |
MoveSelectedAtomsAction | 7a4d13e6-d120-42e1-9669-7be04914f836 | mp-753734 | Move atoms at indices [12, 17, 4, 2, 10, 13] by [ 0.899 -1.054 2.359] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn4Cr2O12
_chemical_formula_sum "Mn4 Cr2 O12"
_cell_length_a 5.07693485
_cell_length_b 5.07693485
_cell_length_c 9.610523
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.19455249
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Mn4Cr2O12
_chemical_formula_sum "Mn4 Cr2 O12"
_cell_length_a 5.07693485
_cell_length_b 5.07693485
_cell_length_c 9.610523
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.19455249
_space_group_name_H-M_alt "P 1... |
MoveSelectedAtomsAction | 6f8b6bf3-a412-4d88-846c-09a4be11b8bd | mp-1026581 | Move atoms at indices [5, 8, 9, 11, 6] by [ 1.853 -0.088 0.481] angstrom in the cif file. | data_image0
_chemical_formula_structural BaSrMg14
_chemical_formula_sum "Ba1 Sr1 Mg14"
_cell_length_a 6.76431275
_cell_length_b 6.70564346
_cell_length_c 10.82343123
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.71350604000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural BaSrMg14
_chemical_formula_sum "Ba1 Sr1 Mg14"
_cell_length_a 6.76431275
_cell_length_b 6.70564346
_cell_length_c 10.82343123
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.71350604000001
_space_group_name_H-M_al... |
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