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 | 9eecac43-9137-4762-a1fd-eb0e3917f9fb | mp-2240560 | Move atoms at indices [8] by [-3.431 -1.497 -0.137] angstrom in the cif file. | data_image0
_chemical_formula_structural MgTiCo2O6
_chemical_formula_sum "Mg1 Ti1 Co2 O6"
_cell_length_a 6.73686587
_cell_length_b 3.0145380700000004
_cell_length_c 5.8034589599999995
_cell_angle_alpha 75.93404697
_cell_angle_beta 104.75206637
_cell_angle_gamma 89.44645409... | data_image0
_chemical_formula_structural MgTiCo2O6
_chemical_formula_sum "Mg1 Ti1 Co2 O6"
_cell_length_a 6.73686587
_cell_length_b 3.0145380700000004
_cell_length_c 5.8034589599999995
_cell_angle_alpha 75.93404697
_cell_angle_beta 104.75206637
_cell_angle_gamma 89.44645409... |
MoveSelectedAtomsAction | 703f47ed-0acd-4b7d-8f9c-e5736119a318 | mp-818536 | Move atoms at indices [2, 4, 17, 25, 13, 9, 24, 20, 21, 3, 15] by [-1.873 -1.78 3.002] angstrom in the cif file. | data_image0
_chemical_formula_structural Ce2Cr4O20
_chemical_formula_sum "Ce2 Cr4 O20"
_cell_length_a 10.921874
_cell_length_b 5.937511
_cell_length_c 6.68150127
_cell_angle_alpha 89.38870777
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Ce2Cr4O20
_chemical_formula_sum "Ce2 Cr4 O20"
_cell_length_a 10.921874
_cell_length_b 5.937511
_cell_length_c 6.68150127
_cell_angle_alpha 89.38870777
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveSelectedAtomsAction | 681b560e-48f3-456d-8156-64d84a2ba936 | mp-1212516 | Move atoms at indices [45, 6, 23, 52, 31, 17, 38, 42, 16, 39, 47, 28, 27, 0, 22, 5, 11, 2, 1, 21, 44, 43, 51, 8, 3, 49, 34, 37, 55, 4, 46, 40, 35, 13, 41, 26, 33, 9, 14, 24, 50, 25, 54, 12, 32, 18] by [ 1.512 0.658 -0.477] angstrom in the cif file. | data_image0
_chemical_formula_structural H24C4S4N12O12
_chemical_formula_sum "H24 C4 S4 N12 O12"
_cell_length_a 7.65285985
_cell_length_b 7.65285985
_cell_length_c 12.969269
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999872000001
_space_group_nam... | data_image0
_chemical_formula_structural H24C4S4N12O12
_chemical_formula_sum "H24 C4 S4 N12 O12"
_cell_length_a 7.65285985
_cell_length_b 7.65285985
_cell_length_c 12.969269
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999872000001
_space_group_nam... |
MoveSelectedAtomsAction | 01855889-088c-488f-98dc-1f2350d02793 | mp-768410 | Move atoms at indices [26, 22, 16, 5, 15, 30, 29, 23, 27] by [-0.77 -0.482 -0.718] angstrom in the cif file. | data_image0
_chemical_formula_structural Li6Mn2B8O18
_chemical_formula_sum "Li6 Mn2 B8 O18"
_cell_length_a 8.745581
_cell_length_b 5.817883
_cell_length_c 6.697982640000001
_cell_angle_alpha 77.50653433
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li6Mn2B8O18
_chemical_formula_sum "Li6 Mn2 B8 O18"
_cell_length_a 8.745581
_cell_length_b 5.817883
_cell_length_c 6.697982640000001
_cell_angle_alpha 77.50653433
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
MoveSelectedAtomsAction | ff13ba07-1cac-4e7d-a0cc-0000bd47178c | mp-861170 | Move atoms at indices [16, 19, 13, 30, 26, 4, 25, 36, 14, 10, 7, 32] by [-0.812 -0.329 -1.679] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti5Fe11O24
_chemical_formula_sum "Ti5 Fe11 O24"
_cell_length_a 5.16601
_cell_length_b 5.59102518
_cell_length_c 15.065638179999999
_cell_angle_alpha 84.34933135000001
_cell_angle_beta 89.81013104
_cell_angle_gamma 89.91484064
_spac... | data_image0
_chemical_formula_structural Ti5Fe11O24
_chemical_formula_sum "Ti5 Fe11 O24"
_cell_length_a 5.16601
_cell_length_b 5.59102518
_cell_length_c 15.065638179999999
_cell_angle_alpha 84.34933135000001
_cell_angle_beta 89.81013104
_cell_angle_gamma 89.91484064
_spac... |
MoveSelectedAtomsAction | f126675c-fb0c-45d1-9b83-be42e84b56da | mp-1359845 | Move atoms at indices [13, 12, 20, 31, 4, 25, 2, 41, 29, 37, 7, 19, 28, 22, 18, 0, 14, 27, 36, 38, 26, 35, 40, 24, 30, 3, 6, 32, 34, 5, 8, 9, 17, 11, 23, 33, 16] by [-1.748 1.627 0.134] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2Cu4P8O28
_chemical_formula_sum "Ca2 Cu4 P8 O28"
_cell_length_a 5.418871
_cell_length_b 7.99159957
_cell_length_c 12.87680247
_cell_angle_alpha 90.19229106
_cell_angle_beta 93.55514976
_cell_angle_gamma 90.21367313
_space_group_n... | data_image0
_chemical_formula_structural Ca2Cu4P8O28
_chemical_formula_sum "Ca2 Cu4 P8 O28"
_cell_length_a 5.418871
_cell_length_b 7.99159957
_cell_length_c 12.87680247
_cell_angle_alpha 90.19229106
_cell_angle_beta 93.55514976
_cell_angle_gamma 90.21367313
_space_group_n... |
MoveSelectedAtomsAction | cec2b97a-8a83-413d-8dbc-0c6ac248038a | mp-1173784 | Move atoms at indices [56, 11, 45, 10, 16, 9, 32, 5, 15, 17, 30, 53, 14, 1, 57, 27, 22, 41, 19, 3, 20, 58, 13, 23, 43, 50, 21, 29, 2, 55, 51, 0, 37, 7, 48, 8, 31, 54, 63, 38, 18, 52, 36, 28, 25, 39, 60, 42, 24] by [ 5.015 -0.095 0.661] angstrom in the cif file. | data_image0
_chemical_formula_structural Na9Mg9AlSi10O35
_chemical_formula_sum "Na9 Mg9 Al1 Si10 O35"
_cell_length_a 25.12591308
_cell_length_b 8.70348242
_cell_length_c 6.49278501
_cell_angle_alpha 90.00000080000001
_cell_angle_beta 90.00306439
_cell_angle_gamma 30.004440... | data_image0
_chemical_formula_structural Na9Mg9AlSi10O35
_chemical_formula_sum "Na9 Mg9 Al1 Si10 O35"
_cell_length_a 25.12591308
_cell_length_b 8.70348242
_cell_length_c 6.49278501
_cell_angle_alpha 90.00000080000001
_cell_angle_beta 90.00306439
_cell_angle_gamma 30.004440... |
MoveSelectedAtomsAction | ad58810f-6238-4414-94d9-8b2c66a18dd8 | mp-1097054 | Move atoms at indices [11, 1, 14, 21, 7, 38, 25, 15, 0, 12, 22, 28, 39, 32, 8] by [-2.293 -0.383 0.097] angstrom in the cif file. | data_image0
_chemical_formula_structural K4Ce8Fe4O24
_chemical_formula_sum "K4 Ce8 Fe4 O24"
_cell_length_a 5.994042
_cell_length_b 8.445889
_cell_length_c 11.558087
_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 K4Ce8Fe4O24
_chemical_formula_sum "K4 Ce8 Fe4 O24"
_cell_length_a 5.994042
_cell_length_b 8.445889
_cell_length_c 11.558087
_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 | a640777e-9053-4049-b1d6-5d61f514973b | mp-1227649 | Move atoms at indices [28, 9, 5, 15, 29, 17, 13, 30, 31] by [ 8.075 -0.559 -0.87 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Se8O22
_chemical_formula_sum "Ca4 Se8 O22"
_cell_length_a 8.33764981
_cell_length_b 8.33764981
_cell_length_c 12.175655180000001
_cell_angle_alpha 65.11946191
_cell_angle_beta 65.11946191
_cell_angle_gamma 50.96985560000001
_spa... | data_image0
_chemical_formula_structural Ca4Se8O22
_chemical_formula_sum "Ca4 Se8 O22"
_cell_length_a 8.33764981
_cell_length_b 8.33764981
_cell_length_c 12.175655180000001
_cell_angle_alpha 65.11946191
_cell_angle_beta 65.11946191
_cell_angle_gamma 50.96985560000001
_spa... |
MoveSelectedAtomsAction | b391fa3b-8579-4f26-bca7-39a374f99f4d | mp-767412 | Move atoms at indices [8, 0, 3, 7, 6, 1, 14, 13, 4, 2, 11] by [-0.642 -0.676 -0.227] angstrom in the cif file. | data_image0
_chemical_formula_structural Li3Co4S8
_chemical_formula_sum "Li3 Co4 S8"
_cell_length_a 7.37482279
_cell_length_b 7.37482279
_cell_length_c 7.374822710000001
_cell_angle_alpha 54.60455602
_cell_angle_beta 54.60455602
_cell_angle_gamma 54.60456056
_space_group_... | data_image0
_chemical_formula_structural Li3Co4S8
_chemical_formula_sum "Li3 Co4 S8"
_cell_length_a 7.37482279
_cell_length_b 7.37482279
_cell_length_c 7.374822710000001
_cell_angle_alpha 54.60455602
_cell_angle_beta 54.60455602
_cell_angle_gamma 54.60456056
_space_group_... |
MoveSelectedAtomsAction | ec26dfd8-fb41-4dc6-b2df-978febf6a47b | mp-1193190 | Move atoms at indices [5, 18, 8, 11, 1, 3, 26, 17, 12, 23, 0, 25, 19, 13, 22, 21, 24, 10, 15, 4, 27] by [-0.179 4.041 -1.138] angstrom in the cif file. | data_image0
_chemical_formula_structural K4Cr6O18
_chemical_formula_sum "K4 Cr6 O18"
_cell_length_a 6.003451
_cell_length_b 8.22584406
_cell_length_c 9.46242053
_cell_angle_alpha 114.70555641999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4Cr6O18
_chemical_formula_sum "K4 Cr6 O18"
_cell_length_a 6.003451
_cell_length_b 8.22584406
_cell_length_c 9.46242053
_cell_angle_alpha 114.70555641999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 9e1da0c6-df56-4d88-afb9-7210b3ee220b | mp-1246736 | Move atoms at indices [8, 1, 9] by [ 0.42 -1.632 2.321] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn6V2N6
_chemical_formula_sum "Mn6 V2 N6"
_cell_length_a 6.87298802
_cell_length_b 6.82548822
_cell_length_c 3.902309
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.80338612999999
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Mn6V2N6
_chemical_formula_sum "Mn6 V2 N6"
_cell_length_a 6.87298802
_cell_length_b 6.82548822
_cell_length_c 3.902309
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.80338612999999
_space_group_name_H-M_alt "P... |
MoveSelectedAtomsAction | 512623ae-d1b7-4832-8b3b-e1a64940220e | mp-1246871 | Move atoms at indices [11, 13, 10, 4, 1, 5, 3, 9, 6, 7, 0, 8] by [-0.263 -2.411 2.152] angstrom in the cif file. | data_image0
_chemical_formula_structural Dy2Mg2Mn2S8
_chemical_formula_sum "Dy2 Mg2 Mn2 S8"
_cell_length_a 7.74106626
_cell_length_b 7.55652854
_cell_length_c 7.55628571
_cell_angle_alpha 60.18353225
_cell_angle_beta 59.17145785
_cell_angle_gamma 59.20400401999999
_space_... | data_image0
_chemical_formula_structural Dy2Mg2Mn2S8
_chemical_formula_sum "Dy2 Mg2 Mn2 S8"
_cell_length_a 7.74106626
_cell_length_b 7.55652854
_cell_length_c 7.55628571
_cell_angle_alpha 60.18353225
_cell_angle_beta 59.17145785
_cell_angle_gamma 59.20400401999999
_space_... |
MoveSelectedAtomsAction | 0d4f9a11-afad-438c-a172-ec71676cd5f9 | mp-1213897 | Move atoms at indices [9, 2, 11, 12, 8, 3] by [-0.941 -0.517 0.116] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4W4O8
_chemical_formula_sum "Ca4 W4 O8"
_cell_length_a 7.39204584
_cell_length_b 7.39204584
_cell_length_c 7.39204584
_cell_angle_alpha 129.86715672
_cell_angle_beta 129.86715672
_cell_angle_gamma 73.61922588
_space_group_name_H-... | data_image0
_chemical_formula_structural Ca4W4O8
_chemical_formula_sum "Ca4 W4 O8"
_cell_length_a 7.39204584
_cell_length_b 7.39204584
_cell_length_c 7.39204584
_cell_angle_alpha 129.86715672
_cell_angle_beta 129.86715672
_cell_angle_gamma 73.61922588
_space_group_name_H-... |
MoveSelectedAtomsAction | b877f8dc-4afc-4edb-ae2c-3960b43b0551 | mp-1208000 | Move atoms at indices [4, 10, 3, 12, 14, 1, 7, 8, 16, 5, 11, 15, 6, 17, 18, 13, 9] by [-4.575 -1.719 -1.86 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Tm2CuGe4O12
_chemical_formula_sum "Tm2 Cu1 Ge4 O12"
_cell_length_a 4.983862
_cell_length_b 7.19407863
_cell_length_c 7.9632799
_cell_angle_alpha 113.99763921
_cell_angle_beta 87.05121009
_cell_angle_gamma 102.37933051
_space_group_... | data_image0
_chemical_formula_structural Tm2CuGe4O12
_chemical_formula_sum "Tm2 Cu1 Ge4 O12"
_cell_length_a 4.983862
_cell_length_b 7.19407863
_cell_length_c 7.9632799
_cell_angle_alpha 113.99763921
_cell_angle_beta 87.05121009
_cell_angle_gamma 102.37933051
_space_group_... |
MoveSelectedAtomsAction | a66d3672-05de-45f4-9139-4c4395619f1b | mp-651997 | Move atoms at indices [49, 36, 15, 41, 24, 17, 38, 5, 21, 51, 16, 28, 43, 32] by [-0.115 3.458 -0.321] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe12Ge8O32
_chemical_formula_sum "Fe12 Ge8 O32"
_cell_length_a 8.471589
_cell_length_b 8.627237
_cell_length_c 9.341011200000002
_cell_angle_alpha 62.332983270000014
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Fe12Ge8O32
_chemical_formula_sum "Fe12 Ge8 O32"
_cell_length_a 8.471589
_cell_length_b 8.627237
_cell_length_c 9.341011200000002
_cell_angle_alpha 62.332983270000014
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
MoveSelectedAtomsAction | 6c862cf5-ba76-4acb-969b-f9de987f62c8 | mp-861612 | Move atoms at indices [14, 6, 19, 3, 11, 17, 10, 8, 9, 4, 13, 1, 23, 18, 2, 16, 15, 0, 12, 5, 7, 22, 20] by [-0.465 0.276 1.188] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr2Fe2P4O16
_chemical_formula_sum "Cr2 Fe2 P4 O16"
_cell_length_a 5.848363
_cell_length_b 4.837312
_cell_length_c 9.9654035
_cell_angle_alpha 88.98505063
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Cr2Fe2P4O16
_chemical_formula_sum "Cr2 Fe2 P4 O16"
_cell_length_a 5.848363
_cell_length_b 4.837312
_cell_length_c 9.9654035
_cell_angle_alpha 88.98505063
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveSelectedAtomsAction | 8d4017d8-34ab-4de1-95fe-28012f4f16f0 | mp-771136 | Move atoms at indices [21, 3, 32, 19, 15, 22, 27, 23, 25, 18, 10, 0, 4, 31, 12, 30, 6, 33, 14, 2, 20, 26, 24, 16, 1, 17, 13, 8] by [-3.836 -2.079 -3.1 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ho4Se6O24
_chemical_formula_sum "Ho4 Se6 O24"
_cell_length_a 9.83310587
_cell_length_b 9.83317571
_cell_length_c 9.83311331
_cell_angle_alpha 58.05414921999998
_cell_angle_beta 58.05380574
_cell_angle_gamma 58.05413616
_space_group... | data_image0
_chemical_formula_structural Ho4Se6O24
_chemical_formula_sum "Ho4 Se6 O24"
_cell_length_a 9.83310587
_cell_length_b 9.83317571
_cell_length_c 9.83311331
_cell_angle_alpha 58.05414921999998
_cell_angle_beta 58.05380574
_cell_angle_gamma 58.05413616
_space_group... |
MoveSelectedAtomsAction | 05b167ee-fa20-485c-b09a-285dd0b567a5 | mp-1650920 | Move atoms at indices [2, 7, 24, 5, 22, 11, 6, 4, 8, 16, 17, 13, 3, 19, 0, 15, 14, 9, 23, 1, 10, 18, 20, 12, 21] by [-1.032 -0.857 3.51 ] angstrom in the cif file. | data_image0
_chemical_formula_structural SrLa4Cr5O15
_chemical_formula_sum "Sr1 La4 Cr5 O15"
_cell_length_a 5.55545134
_cell_length_b 6.786953540000001
_cell_length_c 8.73338731
_cell_angle_alpha 104.83756037999999
_cell_angle_beta 108.43716370999998
_cell_angle_gamma 89.7... | data_image0
_chemical_formula_structural SrLa4Cr5O15
_chemical_formula_sum "Sr1 La4 Cr5 O15"
_cell_length_a 5.55545134
_cell_length_b 6.786953540000001
_cell_length_c 8.73338731
_cell_angle_alpha 104.83756037999999
_cell_angle_beta 108.43716370999998
_cell_angle_gamma 89.7... |
MoveSelectedAtomsAction | e93b4a73-1577-4b33-b00b-a03dad648702 | mp-754097 | Move atoms at indices [20, 6, 18, 5] by [-0.163 3.568 -0.353] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Fe4B4O16
_chemical_formula_sum "Li8 Fe4 B4 O16"
_cell_length_a 5.03732664
_cell_length_b 10.07299094
_cell_length_c 6.172451
_cell_angle_alpha 90.00003662999998
_cell_angle_beta 90.00001758
_cell_angle_gamma 92.06799145
_space_g... | data_image0
_chemical_formula_structural Li8Fe4B4O16
_chemical_formula_sum "Li8 Fe4 B4 O16"
_cell_length_a 5.03732664
_cell_length_b 10.07299094
_cell_length_c 6.172451
_cell_angle_alpha 90.00003662999998
_cell_angle_beta 90.00001758
_cell_angle_gamma 92.06799145
_space_g... |
MoveSelectedAtomsAction | b3be1c9f-4f33-4650-bb32-0bc1e0153f40 | mp-760314 | Move atoms at indices [3, 2, 27, 8, 19, 0, 14, 23, 5, 21, 22, 1, 26, 9, 15, 17, 6] by [-0.694 1.64 1.756] angstrom in the cif file. | data_image0
_chemical_formula_structural V6O5F19
_chemical_formula_sum "V6 O5 F19"
_cell_length_a 5.357245
_cell_length_b 5.49728866
_cell_length_c 14.92364534
_cell_angle_alpha 100.56613557999998
_cell_angle_beta 89.65687162
_cell_angle_gamma 92.05213902999999
_space_gro... | data_image0
_chemical_formula_structural V6O5F19
_chemical_formula_sum "V6 O5 F19"
_cell_length_a 5.357245
_cell_length_b 5.49728866
_cell_length_c 14.92364534
_cell_angle_alpha 100.56613557999998
_cell_angle_beta 89.65687162
_cell_angle_gamma 92.05213902999999
_space_gro... |
MoveSelectedAtomsAction | eef45f3d-4140-417f-a985-89893c468704 | mp-569364 | Move atoms at indices [3, 4] by [-1.212 1.67 -2.451] angstrom in the cif file. | data_image0
_chemical_formula_structural Be44Re2
_chemical_formula_sum "Be44 Re2"
_cell_length_a 8.13274172
_cell_length_b 8.13274113
_cell_length_c 8.132742219999999
_cell_angle_alpha 60.00074062000001
_cell_angle_beta 60.00073954
_cell_angle_gamma 60.000751649999984
_sp... | data_image0
_chemical_formula_structural Be44Re2
_chemical_formula_sum "Be44 Re2"
_cell_length_a 8.13274172
_cell_length_b 8.13274113
_cell_length_c 8.132742219999999
_cell_angle_alpha 60.00074062000001
_cell_angle_beta 60.00073954
_cell_angle_gamma 60.000751649999984
_sp... |
MoveSelectedAtomsAction | 53d5ea32-5ce3-42e5-b337-26b48958b7e7 | mp-1045008 | Move atoms at indices [10] by [-2.324 -1.258 0.764] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2AlW3O7
_chemical_formula_sum "Ba2 Al1 W3 O7"
_cell_length_a 3.44532
_cell_length_b 4.161211
_cell_length_c 13.564674
_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 Ba2AlW3O7
_chemical_formula_sum "Ba2 Al1 W3 O7"
_cell_length_a 3.44532
_cell_length_b 4.161211
_cell_length_c 13.564674
_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 | 56345bb5-caec-4420-bd3f-de0a521e0b89 | mp-1239200 | Move atoms at indices [5, 54, 0, 27, 19] by [2.126 4.028 1.093] angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Cr16S32
_chemical_formula_sum "Na8 Cr16 S32"
_cell_length_a 11.588982
_cell_length_b 7.263585
_cell_length_c 12.057199
_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 Na8Cr16S32
_chemical_formula_sum "Na8 Cr16 S32"
_cell_length_a 11.588982
_cell_length_b 7.263585
_cell_length_c 12.057199
_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 | 22cbedd6-0d08-4091-bd02-5257c0f05413 | mp-1209619 | Move atoms at indices [1, 7, 2, 4, 5, 6, 0] by [-0.824 -0.343 0.583] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb3BiF6
_chemical_formula_sum "Rb3 Bi1 F6"
_cell_length_a 9.12802713
_cell_length_b 7.31655097
_cell_length_c 7.31291915
_cell_angle_alpha 75.48950384
_cell_angle_beta 111.71785302000002
_cell_angle_gamma 128.61156764
_space_group_... | data_image0
_chemical_formula_structural Rb3BiF6
_chemical_formula_sum "Rb3 Bi1 F6"
_cell_length_a 9.12802713
_cell_length_b 7.31655097
_cell_length_c 7.31291915
_cell_angle_alpha 75.48950384
_cell_angle_beta 111.71785302000002
_cell_angle_gamma 128.61156764
_space_group_... |
MoveSelectedAtomsAction | 7e9b5566-778e-4059-93ec-ba77745580fa | mp-1643264 | Move atoms at indices [13, 21, 33, 19, 43, 39, 4, 23, 37, 15] by [3.283 1.374 2.113] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Co10Sn2O24
_chemical_formula_sum "Li8 Co10 Sn2 O24"
_cell_length_a 5.07252516
_cell_length_b 5.03807126
_cell_length_c 19.82383601
_cell_angle_alpha 91.98006383
_cell_angle_beta 85.19405963000001
_cell_angle_gamma 120.10979549999... | data_image0
_chemical_formula_structural Li8Co10Sn2O24
_chemical_formula_sum "Li8 Co10 Sn2 O24"
_cell_length_a 5.07252516
_cell_length_b 5.03807126
_cell_length_c 19.82383601
_cell_angle_alpha 91.98006383
_cell_angle_beta 85.19405963000001
_cell_angle_gamma 120.10979549999... |
MoveSelectedAtomsAction | 76a0b425-8bb3-4bc2-9418-be8722b8aaac | mp-3824 | Move atoms at indices [5, 16, 8] by [-0.063 0.303 -0.324] 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 | 518fa6a8-92d1-41d1-89c0-9c88c4e6ac71 | mp-1305999 | Move atoms at indices [10, 4, 5, 3, 12, 13, 15] by [1.746 0.308 0.636] angstrom in the cif file. | data_image0
_chemical_formula_structural Li3TiNi4O8
_chemical_formula_sum "Li3 Ti1 Ni4 O8"
_cell_length_a 5.89780767
_cell_length_b 5.90359853
_cell_length_c 5.91950147
_cell_angle_alpha 119.91030386999999
_cell_angle_beta 59.75634118
_cell_angle_gamma 90.45492733999998
_... | data_image0
_chemical_formula_structural Li3TiNi4O8
_chemical_formula_sum "Li3 Ti1 Ni4 O8"
_cell_length_a 5.89780767
_cell_length_b 5.90359853
_cell_length_c 5.91950147
_cell_angle_alpha 119.91030386999999
_cell_angle_beta 59.75634118
_cell_angle_gamma 90.45492733999998
_... |
MoveSelectedAtomsAction | afdd0387-dbe1-4a5b-ba39-678854bbc687 | mp-673347 | Move atoms at indices [11, 3, 12, 2, 7, 10, 13, 5, 9, 18, 17, 6] by [ 3.396 -0.269 1.421] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb4H4O12
_chemical_formula_sum "Nb4 H4 O12"
_cell_length_a 6.745082
_cell_length_b 6.77872734
_cell_length_c 6.78036756
_cell_angle_alpha 110.05932264
_cell_angle_beta 108.24881913
_cell_angle_gamma 109.8068904
_space_group_name_H-... | data_image0
_chemical_formula_structural Nb4H4O12
_chemical_formula_sum "Nb4 H4 O12"
_cell_length_a 6.745082
_cell_length_b 6.77872734
_cell_length_c 6.78036756
_cell_angle_alpha 110.05932264
_cell_angle_beta 108.24881913
_cell_angle_gamma 109.8068904
_space_group_name_H-... |
MoveSelectedAtomsAction | 83b61215-d75d-4668-aa91-048060365aaa | mp-1246950 | Move atoms at indices [9, 12, 14, 10, 2, 7] by [ 3.123 -0.461 -2.559] angstrom in the cif file. | data_image0
_chemical_formula_structural MnC8N6
_chemical_formula_sum "Mn1 C8 N6"
_cell_length_a 5.6918229
_cell_length_b 7.22975951
_cell_length_c 7.2297591500000005
_cell_angle_alpha 59.95658291000002
_cell_angle_beta 90.16036235999998
_cell_angle_gamma 90.16036731
_spa... | data_image0
_chemical_formula_structural MnC8N6
_chemical_formula_sum "Mn1 C8 N6"
_cell_length_a 5.6918229
_cell_length_b 7.22975951
_cell_length_c 7.2297591500000005
_cell_angle_alpha 59.95658291000002
_cell_angle_beta 90.16036235999998
_cell_angle_gamma 90.16036731
_spa... |
MoveSelectedAtomsAction | 2a3627b6-a96b-47e9-b944-1b37bdd5cd40 | mp-2223637 | Move atoms at indices [7] by [-0.866 0.367 -1.338] angstrom in the cif file. | data_image0
_chemical_formula_structural MgFeCo2O6
_chemical_formula_sum "Mg1 Fe1 Co2 O6"
_cell_length_a 6.73399449
_cell_length_b 3.10796893
_cell_length_c 6.24380314
_cell_angle_alpha 90.0073151
_cell_angle_beta 108.12261319
_cell_angle_gamma 76.60926439
_space_group_na... | data_image0
_chemical_formula_structural MgFeCo2O6
_chemical_formula_sum "Mg1 Fe1 Co2 O6"
_cell_length_a 6.73399449
_cell_length_b 3.10796893
_cell_length_c 6.24380314
_cell_angle_alpha 90.0073151
_cell_angle_beta 108.12261319
_cell_angle_gamma 76.60926439
_space_group_na... |
MoveSelectedAtomsAction | c959db17-ca78-4822-bd84-a2bb27cd2154 | mp-27442 | Move atoms at indices [8, 3, 19, 15] by [-3.678 1.478 -0.231] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb4Cr4I12
_chemical_formula_sum "Rb4 Cr4 I12"
_cell_length_a 8.11166476
_cell_length_b 8.11166476
_cell_length_c 14.42091642
_cell_angle_alpha 84.76938546
_cell_angle_beta 84.76938546
_cell_angle_gamma 60.11998986000001
_space_grou... | data_image0
_chemical_formula_structural Rb4Cr4I12
_chemical_formula_sum "Rb4 Cr4 I12"
_cell_length_a 8.11166476
_cell_length_b 8.11166476
_cell_length_c 14.42091642
_cell_angle_alpha 84.76938546
_cell_angle_beta 84.76938546
_cell_angle_gamma 60.11998986000001
_space_grou... |
MoveSelectedAtomsAction | 47b257c6-0493-4b79-a61e-fd910f72cf20 | mp-1202130 | Move atoms at indices [26, 41, 15, 18, 46, 38, 19, 14, 33, 11, 16, 36, 3, 31, 0, 32, 39, 4, 22, 42, 47, 5, 17, 28, 25, 30, 27, 24] by [ 0.852 -3.443 0.932] angstrom in the cif file. | data_image0
_chemical_formula_structural K4U4Se8O32
_chemical_formula_sum "K4 U4 Se8 O32"
_cell_length_a 10.240241
_cell_length_b 9.050216
_cell_length_c 12.85625632
_cell_angle_alpha 49.27693034999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural K4U4Se8O32
_chemical_formula_sum "K4 U4 Se8 O32"
_cell_length_a 10.240241
_cell_length_b 9.050216
_cell_length_c 12.85625632
_cell_angle_alpha 49.27693034999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveSelectedAtomsAction | 3f4201e5-3413-4856-a6fc-0a6ac8eaaac9 | mp-1200198 | Move atoms at indices [29, 67, 24, 54, 75, 81, 59, 77, 23, 49, 60, 1, 85, 16, 48, 76, 6, 9, 74, 63, 66, 82, 57, 20, 53, 8, 42, 95, 22, 26, 0, 30, 71, 14, 45, 73, 37, 78, 33, 13, 39] by [ 0.576 -1.019 -3.215] angstrom in the cif file. | data_image0
_chemical_formula_structural Cd8Cu8P8S4O68
_chemical_formula_sum "Cd8 Cu8 P8 S4 O68"
_cell_length_a 10.571198
_cell_length_b 20.939412
_cell_length_c 6.042704
_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 Cd8Cu8P8S4O68
_chemical_formula_sum "Cd8 Cu8 P8 S4 O68"
_cell_length_a 10.571198
_cell_length_b 20.939412
_cell_length_c 6.042704
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveSelectedAtomsAction | 7f6b62e8-97f2-4e1b-8d5e-d7ed92dce4f5 | mp-1101922 | Move atoms at indices [6, 11, 8, 7, 9, 2, 4, 3, 5, 0] by [ 2.097 0.621 -0.235] angstrom in the cif file. | data_image0
_chemical_formula_structural Eu4Fe8
_chemical_formula_sum "Eu4 Fe8"
_cell_length_a 5.501304
_cell_length_b 5.50130398
_cell_length_c 8.536266
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000009
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Eu4Fe8
_chemical_formula_sum "Eu4 Fe8"
_cell_length_a 5.501304
_cell_length_b 5.50130398
_cell_length_c 8.536266
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000009
_space_group_name_H-M_alt "P 1"
_space_... |
MoveSelectedAtomsAction | 45142855-1dbe-4967-be87-10d2050a29af | mp-1232290 | Move atoms at indices [6, 2, 4, 13, 3, 10, 14, 15, 11, 8, 5, 7, 9, 0, 1] by [-0.025 -1.532 1.48 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Cu3SbF12
_chemical_formula_sum "Cu3 Sb1 F12"
_cell_length_a 6.70660229
_cell_length_b 6.70660189
_cell_length_c 6.70660296
_cell_angle_alpha 109.47121481
_cell_angle_beta 109.4712136
_cell_angle_gamma 109.47122883
_space_group_name... | data_image0
_chemical_formula_structural Cu3SbF12
_chemical_formula_sum "Cu3 Sb1 F12"
_cell_length_a 6.70660229
_cell_length_b 6.70660189
_cell_length_c 6.70660296
_cell_angle_alpha 109.47121481
_cell_angle_beta 109.4712136
_cell_angle_gamma 109.47122883
_space_group_name... |
MoveSelectedAtomsAction | 58af853d-f4e7-4051-aad5-b4c1f426a455 | mp-753615 | Move atoms at indices [10, 7, 11] by [0.218 0.047 1.361] angstrom in the cif file. | data_image0
_chemical_formula_structural Li3Mn3O4F4
_chemical_formula_sum "Li3 Mn3 O4 F4"
_cell_length_a 5.80379245
_cell_length_b 6.04470894
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_gamma 118.69020598
_space_group_n... | data_image0
_chemical_formula_structural Li3Mn3O4F4
_chemical_formula_sum "Li3 Mn3 O4 F4"
_cell_length_a 5.80379245
_cell_length_b 6.04470894
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_gamma 118.69020598
_space_group_n... |
MoveSelectedAtomsAction | 0819ef7b-4000-46f0-b645-bffe3a8ddf3d | mp-1275970 | Move atoms at indices [6, 5, 1, 0, 9, 7, 2, 4, 8, 3] by [ 1.472 1.108 -1.25 ] angstrom in the cif file. | data_image0
_chemical_formula_structural BaLaMn2O6
_chemical_formula_sum "Ba1 La1 Mn2 O6"
_cell_length_a 5.67028296
_cell_length_b 5.567038570000001
_cell_length_c 5.56019767
_cell_angle_alpha 118.69775107999999
_cell_angle_beta 120.57657265
_cell_angle_gamma 59.30470872
... | data_image0
_chemical_formula_structural BaLaMn2O6
_chemical_formula_sum "Ba1 La1 Mn2 O6"
_cell_length_a 5.67028296
_cell_length_b 5.567038570000001
_cell_length_c 5.56019767
_cell_angle_alpha 118.69775107999999
_cell_angle_beta 120.57657265
_cell_angle_gamma 59.30470872
... |
MoveSelectedAtomsAction | 6dd43da2-9943-46df-8b74-6279b7b3a988 | mp-1102140 | Move atoms at indices [1, 6, 3, 4, 5] by [-0.461 -1.737 1.669] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd4Si4Ir4
_chemical_formula_sum "Nd4 Si4 Ir4"
_cell_length_a 6.33666694
_cell_length_b 6.33666694
_cell_length_c 6.33666694
_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 Nd4Si4Ir4
_chemical_formula_sum "Nd4 Si4 Ir4"
_cell_length_a 6.33666694
_cell_length_b 6.33666694
_cell_length_c 6.33666694
_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 | dc0f1a10-0bbf-408c-a0c4-f1b6a848ae1a | mp-17426 | Move atoms at indices [3, 18, 15, 28, 5, 27, 9, 16, 30, 17, 7, 12, 29, 11, 22, 0, 21, 31, 26, 35] by [0.856 3.198 0.756] angstrom in the cif file. | data_image0
_chemical_formula_structural Er8W4O24
_chemical_formula_sum "Er8 W4 O24"
_cell_length_a 5.16899321
_cell_length_b 8.98292463
_cell_length_c 9.80930968
_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 Er8W4O24
_chemical_formula_sum "Er8 W4 O24"
_cell_length_a 5.16899321
_cell_length_b 8.98292463
_cell_length_c 9.80930968
_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 | d9127458-f39a-4325-a46e-350c07c198d5 | mp-557730 | Move atoms at indices [10, 12, 8, 16, 25, 22, 23, 5, 11, 1, 15, 0, 19, 20, 17, 3, 9, 6, 14, 4, 21, 24, 13, 18, 7] by [-4.146 -2.904 -3.654] angstrom in the cif file. | data_image0
_chemical_formula_structural Dy2P6O18
_chemical_formula_sum "Dy2 P6 O18"
_cell_length_a 7.85087047
_cell_length_b 7.85087047
_cell_length_c 10.04511306
_cell_angle_alpha 56.61469013000001
_cell_angle_beta 56.61469013000001
_cell_angle_gamma 50.74411487
_space_... | data_image0
_chemical_formula_structural Dy2P6O18
_chemical_formula_sum "Dy2 P6 O18"
_cell_length_a 7.85087047
_cell_length_b 7.85087047
_cell_length_c 10.04511306
_cell_angle_alpha 56.61469013000001
_cell_angle_beta 56.61469013000001
_cell_angle_gamma 50.74411487
_space_... |
MoveSelectedAtomsAction | fbce9aae-3764-498f-a11e-6c6450bc3589 | mp-1400415 | Move atoms at indices [3, 2, 6, 4, 7] by [-1.301 -3.654 3.81 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Ti3O8
_chemical_formula_sum "Ba2 Ti3 O8"
_cell_length_a 3.948523
_cell_length_b 3.948523
_cell_length_c 11.944754
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural Ba2Ti3O8
_chemical_formula_sum "Ba2 Ti3 O8"
_cell_length_a 3.948523
_cell_length_b 3.948523
_cell_length_c 11.944754
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... |
MoveSelectedAtomsAction | 99c12de9-e2d6-41cf-84d4-154cda8bb898 | mp-1196630 | Move atoms at indices [25, 61, 14, 28, 17, 54, 59, 56, 41, 4, 38, 23, 42, 43, 33, 39, 8, 13, 45, 24, 27, 5, 40, 1, 36, 47, 15, 7, 9, 20, 52, 22, 2, 51, 34, 57, 19, 46, 60, 11] by [-1.863 0.588 2.513] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe2Cu16Sb6S26N12
_chemical_formula_sum "Fe2 Cu16 Sb6 S26 N12"
_cell_length_a 12.46461247
_cell_length_b 12.46461247
_cell_length_c 12.46461247
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Fe2Cu16Sb6S26N12
_chemical_formula_sum "Fe2 Cu16 Sb6 S26 N12"
_cell_length_a 12.46461247
_cell_length_b 12.46461247
_cell_length_c 12.46461247
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... |
MoveSelectedAtomsAction | b4866b75-4e24-426c-abee-100a9c074091 | mp-541221 | Move atoms at indices [29, 56, 26, 10, 40, 30, 2, 28, 21, 42, 25, 53, 38, 39, 13, 15, 7, 32, 54, 50, 24, 23, 45, 1, 9, 58, 22, 8, 27, 11, 3, 12, 16] by [ 0.42 1.699 -1.028] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba6H12N12O30
_chemical_formula_sum "Ba6 H12 N12 O30"
_cell_length_a 7.175709
_cell_length_b 7.1757089999999994
_cell_length_c 18.225683
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999081999998
_space_group_... | data_image0
_chemical_formula_structural Ba6H12N12O30
_chemical_formula_sum "Ba6 H12 N12 O30"
_cell_length_a 7.175709
_cell_length_b 7.1757089999999994
_cell_length_c 18.225683
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999081999998
_space_group_... |
MoveSelectedAtomsAction | 48f3bed4-c316-4bcb-a758-65c08472fcff | mp-1103318 | Move atoms at indices [2, 9, 10, 5, 6, 8, 7] by [-2.652 1.933 5.15 ] angstrom in the cif file. | data_image0
_chemical_formula_structural MoW11
_chemical_formula_sum "Mo1 W11"
_cell_length_a 2.596238
_cell_length_b 5.319293
_cell_length_c 18.356209
_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 MoW11
_chemical_formula_sum "Mo1 W11"
_cell_length_a 2.596238
_cell_length_b 5.319293
_cell_length_c 18.356209
_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 | 01cf72f7-4ba4-43a3-802b-f8d432666379 | mp-770938 | Move atoms at indices [1, 3, 16, 24, 11, 5, 12, 2, 9, 17, 13, 7, 22, 23, 25, 20, 10, 14, 4, 18, 8, 15, 6, 19] by [-0.196 -2.343 -1.743] angstrom in the cif file. | data_image0
_chemical_formula_structural Li6V2P2C2O14
_chemical_formula_sum "Li6 V2 P2 C2 O14"
_cell_length_a 5.20433187
_cell_length_b 6.702942999999999
_cell_length_c 8.34931113
_cell_angle_alpha 90.00264614
_cell_angle_beta 87.60110657000001
_cell_angle_gamma 89.9981124... | data_image0
_chemical_formula_structural Li6V2P2C2O14
_chemical_formula_sum "Li6 V2 P2 C2 O14"
_cell_length_a 5.20433187
_cell_length_b 6.702942999999999
_cell_length_c 8.34931113
_cell_angle_alpha 90.00264614
_cell_angle_beta 87.60110657000001
_cell_angle_gamma 89.9981124... |
MoveSelectedAtomsAction | d1752d0f-1807-405d-b164-6b4a2ca9975a | mp-1043245 | Move atoms at indices [15, 6, 5, 16, 13, 12, 17, 3, 9, 1, 2, 8] by [1.935 0.942 0.082] angstrom in the cif file. | data_image0
_chemical_formula_structural Co2Ge4O12
_chemical_formula_sum "Co2 Ge4 O12"
_cell_length_a 6.67167504
_cell_length_b 6.671675039999999
_cell_length_c 5.552864590000001
_cell_angle_alpha 77.01375399
_cell_angle_beta 77.01375399
_cell_angle_gamma 83.37240365
_spa... | data_image0
_chemical_formula_structural Co2Ge4O12
_chemical_formula_sum "Co2 Ge4 O12"
_cell_length_a 6.67167504
_cell_length_b 6.671675039999999
_cell_length_c 5.552864590000001
_cell_angle_alpha 77.01375399
_cell_angle_beta 77.01375399
_cell_angle_gamma 83.37240365
_spa... |
MoveSelectedAtomsAction | 601d3fb6-7b67-4826-92c1-c39582994ecb | mp-705680 | Move atoms at indices [12, 9] by [-3.214 0.671 0.379] angstrom in the cif file. | data_image0
_chemical_formula_structural La4Mo4O18
_chemical_formula_sum "La4 Mo4 O18"
_cell_length_a 7.270955
_cell_length_b 7.289629140000001
_cell_length_c 7.34939515
_cell_angle_alpha 89.47068859
_cell_angle_beta 88.35481316000002
_cell_angle_gamma 87.76302988999998
_... | data_image0
_chemical_formula_structural La4Mo4O18
_chemical_formula_sum "La4 Mo4 O18"
_cell_length_a 7.270955
_cell_length_b 7.289629140000001
_cell_length_c 7.34939515
_cell_angle_alpha 89.47068859
_cell_angle_beta 88.35481316000002
_cell_angle_gamma 87.76302988999998
_... |
MoveSelectedAtomsAction | 915443d4-980c-4d78-94cf-55e4b5f8176e | mp-1233377 | Move atoms at indices [20, 5, 1, 8, 0] by [ 2.119 -1.114 0.088] angstrom in the cif file. | data_image0
_chemical_formula_structural Gd6MgIn2O12
_chemical_formula_sum "Gd6 Mg1 In2 O12"
_cell_length_a 6.99250114
_cell_length_b 6.959334629999999
_cell_length_c 6.83801893
_cell_angle_alpha 94.14595942
_cell_angle_beta 91.72693156000001
_cell_angle_gamma 91.75106101
... | data_image0
_chemical_formula_structural Gd6MgIn2O12
_chemical_formula_sum "Gd6 Mg1 In2 O12"
_cell_length_a 6.99250114
_cell_length_b 6.959334629999999
_cell_length_c 6.83801893
_cell_angle_alpha 94.14595942
_cell_angle_beta 91.72693156000001
_cell_angle_gamma 91.75106101
... |
MoveSelectedAtomsAction | 3d4a2657-a871-4354-850a-eab5c25459d9 | mp-1221029 | Move atoms at indices [27, 14, 16, 2, 23, 10, 22, 15, 39, 5, 25, 29, 34, 0, 19, 7, 4, 37, 3] by [ 1.736 0.607 -2.51 ] angstrom in the cif file. | data_image0
_chemical_formula_structural NaPr9Ge6O26
_chemical_formula_sum "Na1 Pr9 Ge6 O26"
_cell_length_a 9.90787573
_cell_length_b 9.90787573
_cell_length_c 7.246707
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999818999999
_space_group_name_H-M... | data_image0
_chemical_formula_structural NaPr9Ge6O26
_chemical_formula_sum "Na1 Pr9 Ge6 O26"
_cell_length_a 9.90787573
_cell_length_b 9.90787573
_cell_length_c 7.246707
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999818999999
_space_group_name_H-M... |
MoveSelectedAtomsAction | 970d235c-eb30-4c5b-bdca-c43613b77620 | mp-1220828 | Move atoms at indices [33, 7, 71, 66, 1, 42, 9, 8, 21, 43, 62, 16, 19, 55, 58, 2, 73, 5, 57, 81, 11, 17, 68, 70, 67, 79, 29, 32, 40, 77, 38, 48, 15, 36, 23, 4] by [ 0.031 -0.748 0.436] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb16Pb12O48F8
_chemical_formula_sum "Nb16 Pb12 O48 F8"
_cell_length_a 12.91869857
_cell_length_b 12.91869857
_cell_length_c 7.584243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.09828515000001
_space_group_name... | data_image0
_chemical_formula_structural Nb16Pb12O48F8
_chemical_formula_sum "Nb16 Pb12 O48 F8"
_cell_length_a 12.91869857
_cell_length_b 12.91869857
_cell_length_c 7.584243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.09828515000001
_space_group_name... |
MoveSelectedAtomsAction | b74664d1-5b58-4d46-a864-df3b8bd76957 | mp-988945 | Move atoms at indices [4, 12, 2, 7, 6, 14, 9, 10, 13, 1] by [ 3.862 -0.268 -2.237] angstrom in the cif file. | data_image0
_chemical_formula_structural Al8As8
_chemical_formula_sum "Al8 As8"
_cell_length_a 7.02253
_cell_length_b 7.02253
_cell_length_c 7.02253
_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_numb... | data_image0
_chemical_formula_structural Al8As8
_chemical_formula_sum "Al8 As8"
_cell_length_a 7.02253
_cell_length_b 7.02253
_cell_length_c 7.02253
_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_numb... |
MoveSelectedAtomsAction | 6b8477a5-769a-47c8-970c-d3ae3848a11d | mp-559820 | Move atoms at indices [22, 2, 25, 4, 8, 24, 26, 12, 6, 21, 5, 0, 23, 14] by [-2.415 -1.007 -2.463] angstrom in the cif file. | data_image0
_chemical_formula_structural La4S4Cl4O16
_chemical_formula_sum "La4 S4 Cl4 O16"
_cell_length_a 8.227041
_cell_length_b 6.824929
_cell_length_c 8.73515244
_cell_angle_alpha 66.15988172
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural La4S4Cl4O16
_chemical_formula_sum "La4 S4 Cl4 O16"
_cell_length_a 8.227041
_cell_length_b 6.824929
_cell_length_c 8.73515244
_cell_angle_alpha 66.15988172
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveSelectedAtomsAction | 7c3f48db-8c05-4522-b0fd-b6279cfecac2 | mp-1235973 | Move atoms at indices [8, 12, 20, 2, 10, 1, 15, 7, 0, 6, 5, 14, 17, 9, 19, 13, 3, 16, 11, 18] by [-1.034 -2.861 -1.837] angstrom in the cif file. | data_image0
_chemical_formula_structural LiY4Ag4O12
_chemical_formula_sum "Li1 Y4 Ag4 O12"
_cell_length_a 6.17700983
_cell_length_b 7.209114630000001
_cell_length_c 6.964862
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 72.68391668
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural LiY4Ag4O12
_chemical_formula_sum "Li1 Y4 Ag4 O12"
_cell_length_a 6.17700983
_cell_length_b 7.209114630000001
_cell_length_c 6.964862
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 72.68391668
_space_group_name_H-M_a... |
MoveSelectedAtomsAction | ce0970eb-0deb-43dc-b4e5-880ccc1ae0ed | mp-1211929 | Move atoms at indices [62, 42, 4, 55, 20, 28, 14, 25, 53, 15, 50, 12, 48, 13, 32, 69, 24, 63, 18, 41, 43, 73, 59, 21, 44, 51, 64, 26, 33, 70, 68, 83, 82, 8, 58] by [-3.295 -0.231 0.169] angstrom in the cif file. | data_image0
_chemical_formula_structural K8Te4Mo8P8O56
_chemical_formula_sum "K8 Te4 Mo8 P8 O56"
_cell_length_a 8.63677716
_cell_length_b 11.09218661
_cell_length_c 12.55253392
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K8Te4Mo8P8O56
_chemical_formula_sum "K8 Te4 Mo8 P8 O56"
_cell_length_a 8.63677716
_cell_length_b 11.09218661
_cell_length_c 12.55253392
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | f7ae6204-b239-43b4-b45b-2991d85e3fda | mp-775903 | Move atoms at indices [5, 4, 36, 42, 44, 19, 30, 17, 39, 35, 16, 25, 8, 9, 0, 34, 21, 24, 29, 1, 20, 2, 27, 38, 33, 18, 6, 7, 46, 23, 28, 10, 32, 13, 37, 45, 14] by [ 0.857 -1.361 -1.909] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Mn4P8O28
_chemical_formula_sum "Li8 Mn4 P8 O28"
_cell_length_a 7.11528203
_cell_length_b 8.66272234
_cell_length_c 10.21943547
_cell_angle_alpha 92.88116626
_cell_angle_beta 108.95972731999998
_cell_angle_gamma 95.0002604
_space... | data_image0
_chemical_formula_structural Li8Mn4P8O28
_chemical_formula_sum "Li8 Mn4 P8 O28"
_cell_length_a 7.11528203
_cell_length_b 8.66272234
_cell_length_c 10.21943547
_cell_angle_alpha 92.88116626
_cell_angle_beta 108.95972731999998
_cell_angle_gamma 95.0002604
_space... |
MoveSelectedAtomsAction | e17cc78d-9978-4797-b204-cc53320b0932 | mp-1175049 | Move atoms at indices [14, 10, 11, 5, 20, 21, 1, 22, 8, 2, 16] by [ 0.777 -1.309 0.25 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li7Mn2Co3O12
_chemical_formula_sum "Li7 Mn2 Co3 O12"
_cell_length_a 2.961141
_cell_length_b 5.07618941
_cell_length_c 14.380623660000001
_cell_angle_alpha 88.2354465
_cell_angle_beta 86.62971702
_cell_angle_gamma 88.55672708999998
... | data_image0
_chemical_formula_structural Li7Mn2Co3O12
_chemical_formula_sum "Li7 Mn2 Co3 O12"
_cell_length_a 2.961141
_cell_length_b 5.07618941
_cell_length_c 14.380623660000001
_cell_angle_alpha 88.2354465
_cell_angle_beta 86.62971702
_cell_angle_gamma 88.55672708999998
... |
MoveSelectedAtomsAction | 94267fd9-fcb1-4f02-859d-77080797313e | mp-1181826 | Move atoms at indices [6, 0, 5] by [0.474 0.111 1.404] angstrom in the cif file. | data_image0
_chemical_formula_structural CoCuP2O7
_chemical_formula_sum "Co1 Cu1 P2 O7"
_cell_length_a 4.59307298
_cell_length_b 5.36394199
_cell_length_c 5.39286453
_cell_angle_alpha 101.43439814
_cell_angle_beta 100.93720399
_cell_angle_gamma 100.89037008000001
_space_g... | data_image0
_chemical_formula_structural CoCuP2O7
_chemical_formula_sum "Co1 Cu1 P2 O7"
_cell_length_a 4.59307298
_cell_length_b 5.36394199
_cell_length_c 5.39286453
_cell_angle_alpha 101.43439814
_cell_angle_beta 100.93720399
_cell_angle_gamma 100.89037008000001
_space_g... |
MoveSelectedAtomsAction | d1923ddd-84cc-4318-a72c-ffe83f8fd926 | mp-680301 | Move atoms at indices [46, 2, 29, 40, 56, 21, 47, 33, 1, 38, 0, 43, 17, 30, 58, 19, 49, 3, 62, 52] by [ 3.021 -3.498 -0.408] angstrom in the cif file. | data_image0
_chemical_formula_structural K24As8O32
_chemical_formula_sum "K24 As8 O32"
_cell_length_a 8.27960089
_cell_length_b 8.27960089
_cell_length_c 16.89061602
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.24265916000002
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural K24As8O32
_chemical_formula_sum "K24 As8 O32"
_cell_length_a 8.27960089
_cell_length_b 8.27960089
_cell_length_c 16.89061602
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.24265916000002
_space_group_name_H-M_alt... |
MoveSelectedAtomsAction | adc008c6-b90f-461b-930b-868cb08b0eb3 | mp-1250606 | Move atoms at indices [4, 40, 9, 11, 17, 15, 8, 29, 41, 28, 31, 0, 33, 27, 36, 10, 34, 19, 14, 12, 37, 22] by [ 0.301 -0.93 -5.191] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Al2H20Cl2O16
_chemical_formula_sum "Ca4 Al2 H20 Cl2 O16"
_cell_length_a 10.74289779
_cell_length_b 8.85810288
_cell_length_c 8.85810288
_cell_angle_alpha 41.84762657000001
_cell_angle_beta 100.38471685999998
_cell_angle_gamma 100... | data_image0
_chemical_formula_structural Ca4Al2H20Cl2O16
_chemical_formula_sum "Ca4 Al2 H20 Cl2 O16"
_cell_length_a 10.74289779
_cell_length_b 8.85810288
_cell_length_c 8.85810288
_cell_angle_alpha 41.84762657000001
_cell_angle_beta 100.38471685999998
_cell_angle_gamma 100... |
MoveSelectedAtomsAction | 331876e7-332e-47ea-a0fc-055c04e090a8 | mp-2220594 | Move atoms at indices [1, 21, 22, 20, 27] by [ 2.362 4.321 -0.27 ] angstrom in the cif file. | data_image0
_chemical_formula_structural MgTl4V4Te4O20
_chemical_formula_sum "Mg1 Tl4 V4 Te4 O20"
_cell_length_a 7.06985946
_cell_length_b 8.249802490000002
_cell_length_c 9.27915161
_cell_angle_alpha 86.50146034
_cell_angle_beta 91.60447252999998
_cell_angle_gamma 89.8648... | data_image0
_chemical_formula_structural MgTl4V4Te4O20
_chemical_formula_sum "Mg1 Tl4 V4 Te4 O20"
_cell_length_a 7.06985946
_cell_length_b 8.249802490000002
_cell_length_c 9.27915161
_cell_angle_alpha 86.50146034
_cell_angle_beta 91.60447252999998
_cell_angle_gamma 89.8648... |
MoveSelectedAtomsAction | 16b74d72-9c98-4538-8657-f70fcca83bca | mp-1197601 | Move atoms at indices [39, 30, 79, 80, 33, 70, 76, 50, 69, 48, 9, 84, 67, 74, 51, 21, 37, 62, 13, 45, 55, 46, 27, 26, 32, 31, 2, 11, 43, 61, 49, 1, 7, 77, 18, 83, 24, 25] by [ 1.428 -6.239 0.178] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb4MgFe8H6Se16O50
_chemical_formula_sum "Rb4 Mg1 Fe8 H6 Se16 O50"
_cell_length_a 7.852262
_cell_length_b 10.51530752
_cell_length_c 16.13059088
_cell_angle_alpha 77.45945308
_cell_angle_beta 88.6467985
_cell_angle_gamma 86.212906200... | data_image0
_chemical_formula_structural Rb4MgFe8H6Se16O50
_chemical_formula_sum "Rb4 Mg1 Fe8 H6 Se16 O50"
_cell_length_a 7.852262
_cell_length_b 10.51530752
_cell_length_c 16.13059088
_cell_angle_alpha 77.45945308
_cell_angle_beta 88.6467985
_cell_angle_gamma 86.212906200... |
MoveSelectedAtomsAction | fd29ccfb-95d5-4ec7-b6f2-31e82bea8735 | mp-561165 | Move atoms at indices [30, 44, 27, 13, 14, 4, 37, 17, 22] by [ 0.078 -0.064 -2.918] angstrom in the cif file. | data_image0
_chemical_formula_structural V6Bi12O30
_chemical_formula_sum "V6 Bi12 O30"
_cell_length_a 11.26970933
_cell_length_b 11.26970933
_cell_length_c 5.469955
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 94.31418871
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural V6Bi12O30
_chemical_formula_sum "V6 Bi12 O30"
_cell_length_a 11.26970933
_cell_length_b 11.26970933
_cell_length_c 5.469955
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 94.31418871
_space_group_name_H-M_alt "P ... |
MoveSelectedAtomsAction | e3e1125f-23a3-4883-8fe5-b7a9b43aab1c | mp-1203661 | Move atoms at indices [5, 35, 15, 41, 23, 22, 7, 36] by [ 0.045 -0.661 1.842] angstrom in the cif file. | data_image0
_chemical_formula_structural K5Rb10Cr5F30
_chemical_formula_sum "K5 Rb10 Cr5 F30"
_cell_length_a 8.85048792
_cell_length_b 10.61210768
_cell_length_c 10.61210768
_cell_angle_alpha 79.98600918999999
_cell_angle_beta 65.35469727
_cell_angle_gamma 65.35469727
_sp... | data_image0
_chemical_formula_structural K5Rb10Cr5F30
_chemical_formula_sum "K5 Rb10 Cr5 F30"
_cell_length_a 8.85048792
_cell_length_b 10.61210768
_cell_length_c 10.61210768
_cell_angle_alpha 79.98600918999999
_cell_angle_beta 65.35469727
_cell_angle_gamma 65.35469727
_sp... |
MoveSelectedAtomsAction | 1b5c0d30-ab52-49d2-8aad-ebccc6a62e28 | mp-1095470 | Move atoms at indices [8, 0, 6, 2, 1, 10, 3, 4, 11, 9, 5, 7] by [ 0.154 -0.627 2.025] angstrom in the cif file. | data_image0
_chemical_formula_structural Eu4Zn2Ge6
_chemical_formula_sum "Eu4 Zn2 Ge6"
_cell_length_a 4.24159271
_cell_length_b 4.24159271
_cell_length_c 17.86911257
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99697262000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Eu4Zn2Ge6
_chemical_formula_sum "Eu4 Zn2 Ge6"
_cell_length_a 4.24159271
_cell_length_b 4.24159271
_cell_length_c 17.86911257
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99697262000001
_space_group_name_H-M_al... |
MoveSelectedAtomsAction | 64c9b17d-e5f8-42af-9676-338e83fded54 | mp-1569720 | Move atoms at indices [17, 15] by [ 2.219 -0.355 -0.015] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Si4Ni2O12
_chemical_formula_sum "Li4 Si4 Ni2 O12"
_cell_length_a 5.12306407
_cell_length_b 10.43044348
_cell_length_c 5.12760704
_cell_angle_alpha 104.44993766000002
_cell_angle_beta 90.72066576999998
_cell_angle_gamma 75.5191547... | data_image0
_chemical_formula_structural Li4Si4Ni2O12
_chemical_formula_sum "Li4 Si4 Ni2 O12"
_cell_length_a 5.12306407
_cell_length_b 10.43044348
_cell_length_c 5.12760704
_cell_angle_alpha 104.44993766000002
_cell_angle_beta 90.72066576999998
_cell_angle_gamma 75.5191547... |
MoveSelectedAtomsAction | bb85cd4a-4ad3-4c21-ab2a-091a09ff5d5a | mp-1227442 | Move atoms at indices [7] by [-2.375 -0.209 1.055] angstrom in the cif file. | data_image0
_chemical_formula_structural Be2BH3O5
_chemical_formula_sum "Be2 B1 H3 O5"
_cell_length_a 4.41713532
_cell_length_b 4.43574167
_cell_length_c 5.27555646
_cell_angle_alpha 92.43461318
_cell_angle_beta 89.13916789
_cell_angle_gamma 119.89439418000002
_space_grou... | data_image0
_chemical_formula_structural Be2BH3O5
_chemical_formula_sum "Be2 B1 H3 O5"
_cell_length_a 4.41713532
_cell_length_b 4.43574167
_cell_length_c 5.27555646
_cell_angle_alpha 92.43461318
_cell_angle_beta 89.13916789
_cell_angle_gamma 119.89439418000002
_space_grou... |
MoveSelectedAtomsAction | f2b95494-0592-44e2-9417-09a2d63c4f5b | mp-1044415 | Move atoms at indices [11, 18, 10, 22, 28, 9, 25, 19, 20, 7, 30, 15, 26, 24, 2, 27, 13, 29, 21, 31, 3, 12, 14, 4, 8, 0, 17, 1, 6, 5, 23] by [-2.14 2.136 -1.452] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4Ni4Bi4O20
_chemical_formula_sum "Mg4 Ni4 Bi4 O20"
_cell_length_a 10.461882
_cell_length_b 5.361598
_cell_length_c 8.30520732
_cell_angle_alpha 70.34453873
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg4Ni4Bi4O20
_chemical_formula_sum "Mg4 Ni4 Bi4 O20"
_cell_length_a 10.461882
_cell_length_b 5.361598
_cell_length_c 8.30520732
_cell_angle_alpha 70.34453873
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 59524368-d48f-42c9-86d2-6ac22db05bdc | mp-779083 | Move atoms at indices [12, 13, 10, 6, 11, 4, 2, 5, 3, 1, 7] by [ 3.051 -0.999 -0.373] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2V3SnO8
_chemical_formula_sum "Li2 V3 Sn1 O8"
_cell_length_a 6.04731611
_cell_length_b 6.04731611
_cell_length_c 6.04731636
_cell_angle_alpha 59.96608286
_cell_angle_beta 59.96608286
_cell_angle_gamma 59.96608671
_space_group_nam... | data_image0
_chemical_formula_structural Li2V3SnO8
_chemical_formula_sum "Li2 V3 Sn1 O8"
_cell_length_a 6.04731611
_cell_length_b 6.04731611
_cell_length_c 6.04731636
_cell_angle_alpha 59.96608286
_cell_angle_beta 59.96608286
_cell_angle_gamma 59.96608671
_space_group_nam... |
MoveSelectedAtomsAction | c5b5786f-2927-47f6-b919-71b3a6a79d7a | mp-600078 | Move atoms at indices [51, 10, 43, 29, 47, 31, 50, 7, 12, 18, 23, 4, 37, 6, 19, 44, 48, 26, 33, 46, 49, 20, 27, 53, 0, 9, 34, 15, 41, 32, 1, 30, 8, 52, 21, 3, 28, 2, 16, 24, 25, 13, 40, 36, 38, 14, 22, 39, 45, 11, 17] by [-0.542 -0.627 -0.788] angstrom in the cif file. | data_image0
_chemical_formula_structural Si18O36
_chemical_formula_sum "Si18 O36"
_cell_length_a 21.778225
_cell_length_b 21.778225
_cell_length_c 21.778225
_cell_angle_alpha 160.93319772000004
_cell_angle_beta 160.93319772000004
_cell_angle_gamma 27.091963339999996
_spac... | data_image0
_chemical_formula_structural Si18O36
_chemical_formula_sum "Si18 O36"
_cell_length_a 21.778225
_cell_length_b 21.778225
_cell_length_c 21.778225
_cell_angle_alpha 160.93319772000004
_cell_angle_beta 160.93319772000004
_cell_angle_gamma 27.091963339999996
_spac... |
MoveSelectedAtomsAction | 1ced3ea5-2c58-43c3-8e24-f47c92ae6d93 | mp-1225820 | Move atoms at indices [10] by [-1.197 2.102 4.259] angstrom in the cif file. | data_image0
_chemical_formula_structural Er3Ga8Ni3
_chemical_formula_sum "Er3 Ga8 Ni3"
_cell_length_a 7.96507008
_cell_length_b 7.96507008
_cell_length_c 9.50361869
_cell_angle_alpha 54.23683748
_cell_angle_beta 54.23683748
_cell_angle_gamma 30.009609399999995
_space_grou... | data_image0
_chemical_formula_structural Er3Ga8Ni3
_chemical_formula_sum "Er3 Ga8 Ni3"
_cell_length_a 7.96507008
_cell_length_b 7.96507008
_cell_length_c 9.50361869
_cell_angle_alpha 54.23683748
_cell_angle_beta 54.23683748
_cell_angle_gamma 30.009609399999995
_space_grou... |
MoveSelectedAtomsAction | 36cf8be3-8758-4e7a-ad0d-41a280f26a71 | mp-1215852 | Move atoms at indices [1, 4, 6, 8, 9, 5, 3, 0, 2, 7] by [ 1.895 0.433 -1.459] angstrom in the cif file. | data_image0
_chemical_formula_structural YbEuSi4Au4
_chemical_formula_sum "Yb1 Eu1 Si4 Au4"
_cell_length_a 4.31256801
_cell_length_b 4.31256801
_cell_length_c 10.02948755
_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 YbEuSi4Au4
_chemical_formula_sum "Yb1 Eu1 Si4 Au4"
_cell_length_a 4.31256801
_cell_length_b 4.31256801
_cell_length_c 10.02948755
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveSelectedAtomsAction | 3ce0fa14-e428-4928-bd9d-5c142e034b55 | mp-1290584 | Move atoms at indices [21, 0, 6, 5, 2, 27, 24, 4, 12, 26, 17, 18, 10, 14, 22, 11, 7, 8] by [ 2. -0.622 -0.436] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V6Sn2O16
_chemical_formula_sum "Li4 V6 Sn2 O16"
_cell_length_a 6.05952536
_cell_length_b 6.01027081
_cell_length_c 10.79416155
_cell_angle_alpha 74.08540665
_cell_angle_beta 90.27515091
_cell_angle_gamma 120.32441300999999
_spac... | data_image0
_chemical_formula_structural Li4V6Sn2O16
_chemical_formula_sum "Li4 V6 Sn2 O16"
_cell_length_a 6.05952536
_cell_length_b 6.01027081
_cell_length_c 10.79416155
_cell_angle_alpha 74.08540665
_cell_angle_beta 90.27515091
_cell_angle_gamma 120.32441300999999
_spac... |
MoveSelectedAtomsAction | 6614ec18-4cac-45b8-b35b-148dde2ff692 | mp-1044904 | Move atoms at indices [38, 13] by [-2.591 -1.064 -2.436] angstrom in the cif file. | data_image0
_chemical_formula_structural Y4Si2Sb2W13O28
_chemical_formula_sum "Y4 Si2 Sb2 W13 O28"
_cell_length_a 12.97580073
_cell_length_b 12.97580073
_cell_length_c 9.624540749999998
_cell_angle_alpha 85.53622521
_cell_angle_beta 85.53622521
_cell_angle_gamma 152.187774... | data_image0
_chemical_formula_structural Y4Si2Sb2W13O28
_chemical_formula_sum "Y4 Si2 Sb2 W13 O28"
_cell_length_a 12.97580073
_cell_length_b 12.97580073
_cell_length_c 9.624540749999998
_cell_angle_alpha 85.53622521
_cell_angle_beta 85.53622521
_cell_angle_gamma 152.187774... |
MoveSelectedAtomsAction | 34072703-47b3-4ce3-bd9f-6820f4a7a2a0 | mp-1196873 | Move atoms at indices [36, 16, 11, 18, 39, 26, 13, 8, 14, 0, 4, 10, 3, 32, 12, 19, 21, 1, 31, 30, 15, 38, 27, 5, 33, 20, 24, 28, 22, 37, 25, 23, 7, 2] by [ 0.115 1.034 -1.222] angstrom in the cif file. | data_image0
_chemical_formula_structural Er6Co8Ge26
_chemical_formula_sum "Er6 Co8 Ge26"
_cell_length_a 8.763719
_cell_length_b 8.763719
_cell_length_c 8.763719
_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 Er6Co8Ge26
_chemical_formula_sum "Er6 Co8 Ge26"
_cell_length_a 8.763719
_cell_length_b 8.763719
_cell_length_c 8.763719
_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 | e4990b41-d8e0-46f7-aa7f-da78a14f7628 | mp-2231769 | Move atoms at indices [8, 6, 15, 12, 3, 2, 17] by [ 2.822 3.955 -0.342] angstrom in the cif file. | data_image0
_chemical_formula_structural MgMn2Se4O12
_chemical_formula_sum "Mg1 Mn2 Se4 O12"
_cell_length_a 5.44462449
_cell_length_b 6.89465889
_cell_length_c 7.89161823
_cell_angle_alpha 88.69789064999999
_cell_angle_beta 93.2494109
_cell_angle_gamma 83.75586802
_space_... | data_image0
_chemical_formula_structural MgMn2Se4O12
_chemical_formula_sum "Mg1 Mn2 Se4 O12"
_cell_length_a 5.44462449
_cell_length_b 6.89465889
_cell_length_c 7.89161823
_cell_angle_alpha 88.69789064999999
_cell_angle_beta 93.2494109
_cell_angle_gamma 83.75586802
_space_... |
MoveSelectedAtomsAction | cb821370-dbb4-428d-9524-1f2f39fa8982 | mp-1209619 | Move atoms at indices [1, 0, 4, 5] by [-0.856 -1.367 5.724] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb3BiF6
_chemical_formula_sum "Rb3 Bi1 F6"
_cell_length_a 9.12802713
_cell_length_b 7.31655097
_cell_length_c 7.31291915
_cell_angle_alpha 75.48950384
_cell_angle_beta 111.71785302000002
_cell_angle_gamma 128.61156764
_space_group_... | data_image0
_chemical_formula_structural Rb3BiF6
_chemical_formula_sum "Rb3 Bi1 F6"
_cell_length_a 9.12802713
_cell_length_b 7.31655097
_cell_length_c 7.31291915
_cell_angle_alpha 75.48950384
_cell_angle_beta 111.71785302000002
_cell_angle_gamma 128.61156764
_space_group_... |
MoveSelectedAtomsAction | 85096801-16d1-45bb-b09c-baea16dbf8df | mp-780652 | Move atoms at indices [15, 40, 57, 65, 81, 85, 84, 63, 49, 58] by [-1.199 0.875 4.161] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8V6P16O58
_chemical_formula_sum "Li8 V6 P16 O58"
_cell_length_a 9.759701
_cell_length_b 9.77116265
_cell_length_c 14.158486300000002
_cell_angle_alpha 90.21434484
_cell_angle_beta 90.02953718999999
_cell_angle_gamma 119.8580864799... | data_image0
_chemical_formula_structural Li8V6P16O58
_chemical_formula_sum "Li8 V6 P16 O58"
_cell_length_a 9.759701
_cell_length_b 9.77116265
_cell_length_c 14.158486300000002
_cell_angle_alpha 90.21434484
_cell_angle_beta 90.02953718999999
_cell_angle_gamma 119.8580864799... |
MoveSelectedAtomsAction | 7367ad7c-efb2-42a9-85be-185bb57d269f | mp-17986 | Move atoms at indices [12, 5, 4, 23, 0, 9, 13, 20, 18, 14, 22, 1, 3, 15, 6, 19, 2, 17, 7, 11, 10, 16] by [ 0.085 0.805 -0.554] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti4Tl8O12
_chemical_formula_sum "Ti4 Tl8 O12"
_cell_length_a 3.82186766
_cell_length_b 9.74164138
_cell_length_c 12.57036186
_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 Ti4Tl8O12
_chemical_formula_sum "Ti4 Tl8 O12"
_cell_length_a 3.82186766
_cell_length_b 9.74164138
_cell_length_c 12.57036186
_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 | 2974cd06-45bf-48bb-8a30-27315b1d59cb | mp-759739 | Move atoms at indices [10, 7, 11, 14, 8, 0, 13, 18, 20, 12, 6] by [ 1.82 0.19 -1.018] angstrom in the cif file. | data_image0
_chemical_formula_structural V6O3F15
_chemical_formula_sum "V6 O3 F15"
_cell_length_a 8.44599678
_cell_length_b 8.44599678
_cell_length_c 4.56238
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000613
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural V6O3F15
_chemical_formula_sum "V6 O3 F15"
_cell_length_a 8.44599678
_cell_length_b 8.44599678
_cell_length_c 4.56238
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000613
_space_group_name_H-M_alt "P 1"
_sp... |
MoveSelectedAtomsAction | 30da26c2-854f-44d3-a97d-583e8287d1bc | mp-1198663 | Move atoms at indices [26, 35, 20, 42, 3, 2, 13, 29, 32, 45, 30, 11, 37, 8, 36, 9, 4, 16, 15, 12, 39, 34, 27, 44, 14, 19, 41, 6, 43, 28, 22, 24, 31, 7, 5, 17, 38, 25, 47, 10, 18, 1, 23, 33, 40, 46, 0] by [-1.655 -0.281 -1.986] angstrom in the cif file. | data_image0
_chemical_formula_structural K8Li4H24N12
_chemical_formula_sum "K8 Li4 H24 N12"
_cell_length_a 7.004138
_cell_length_b 7.004138
_cell_length_c 12.005835
_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 K8Li4H24N12
_chemical_formula_sum "K8 Li4 H24 N12"
_cell_length_a 7.004138
_cell_length_b 7.004138
_cell_length_c 12.005835
_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 | 93c414ea-fc03-44b3-a717-e39e9408682a | mp-985591 | Move atoms at indices [10, 7, 4, 0, 12, 8, 5, 6, 1, 2, 11, 3] by [3.885 1.341 1.109] angstrom in the cif file. | data_image0
_chemical_formula_structural Li6PS5Br
_chemical_formula_sum "Li6 P1 S5 Br1"
_cell_length_a 7.28689094
_cell_length_b 7.286890940000001
_cell_length_c 7.286890939999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.... | data_image0
_chemical_formula_structural Li6PS5Br
_chemical_formula_sum "Li6 P1 S5 Br1"
_cell_length_a 7.28689094
_cell_length_b 7.286890940000001
_cell_length_c 7.286890939999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.... |
MoveSelectedAtomsAction | 1733e458-145c-47cc-8962-11760e8ea1ea | mp-753615 | Move atoms at indices [13, 11, 3, 10, 4, 5, 8, 1, 2, 7] by [-0.083 0.402 1.811] angstrom in the cif file. | data_image0
_chemical_formula_structural Li3Mn3O4F4
_chemical_formula_sum "Li3 Mn3 O4 F4"
_cell_length_a 5.80379245
_cell_length_b 6.04470894
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_gamma 118.69020598
_space_group_n... | data_image0
_chemical_formula_structural Li3Mn3O4F4
_chemical_formula_sum "Li3 Mn3 O4 F4"
_cell_length_a 5.80379245
_cell_length_b 6.04470894
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_gamma 118.69020598
_space_group_n... |
MoveSelectedAtomsAction | 67f94c32-777c-4a99-bd82-bc7d7d9c4f05 | mp-3887 | Move atoms at indices [13, 6, 28, 5, 20, 16, 22, 47, 44, 38, 7, 1, 21, 14, 26] by [-0.153 4.152 0.269] angstrom in the cif file. | data_image0
_chemical_formula_structural Li24Ga8N16
_chemical_formula_sum "Li24 Ga8 N16"
_cell_length_a 8.28699076
_cell_length_b 8.28700506
_cell_length_c 8.2869912
_cell_angle_alpha 109.47035236
_cell_angle_beta 109.47043864999999
_cell_angle_gamma 109.47038533000001
_s... | data_image0
_chemical_formula_structural Li24Ga8N16
_chemical_formula_sum "Li24 Ga8 N16"
_cell_length_a 8.28699076
_cell_length_b 8.28700506
_cell_length_c 8.2869912
_cell_angle_alpha 109.47035236
_cell_angle_beta 109.47043864999999
_cell_angle_gamma 109.47038533000001
_s... |
MoveSelectedAtomsAction | 226a889f-ca90-42f3-99bc-12030d855eb2 | mp-17235 | Move atoms at indices [33, 28, 36, 40, 18] by [-1.93 2.486 1.059] angstrom in the cif file. | data_image0
_chemical_formula_structural Sm8Si8O28
_chemical_formula_sum "Sm8 Si8 O28"
_cell_length_a 5.40274745
_cell_length_b 8.5571296
_cell_length_c 12.89311893
_cell_angle_alpha 90.5950217
_cell_angle_beta 91.38861791
_cell_angle_gamma 92.56657233
_space_group_name_H... | data_image0
_chemical_formula_structural Sm8Si8O28
_chemical_formula_sum "Sm8 Si8 O28"
_cell_length_a 5.40274745
_cell_length_b 8.5571296
_cell_length_c 12.89311893
_cell_angle_alpha 90.5950217
_cell_angle_beta 91.38861791
_cell_angle_gamma 92.56657233
_space_group_name_H... |
MoveSelectedAtomsAction | e2c94cc3-b90f-4d99-90d6-46d793e685fb | mp-1213955 | Move atoms at indices [6, 3, 5, 12, 26, 20, 4, 15, 18, 23, 24, 14] by [-0.491 0.108 -1.792] angstrom in the cif file. | data_image0
_chemical_formula_structural Cd4N4O20
_chemical_formula_sum "Cd4 N4 O20"
_cell_length_a 3.794464
_cell_length_b 7.601727
_cell_length_c 14.405706
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural Cd4N4O20
_chemical_formula_sum "Cd4 N4 O20"
_cell_length_a 3.794464
_cell_length_b 7.601727
_cell_length_c 14.405706
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... |
MoveSelectedAtomsAction | 02c2679a-1fc6-4c15-8d84-9491ece0b050 | mp-1201551 | Move atoms at indices [14, 60, 17, 5, 15, 6, 22, 55, 16, 27, 13, 3, 50, 31, 51, 61, 36, 69, 56, 7, 26, 59, 20, 4, 65, 66, 44, 52, 1, 9, 71, 54, 68, 25, 57, 32, 39, 49, 70, 12, 41, 0, 63, 58, 67, 23, 47, 18, 2, 30, 45, 21, 64, 53, 10, 24, 11, 8, 28, 19, 48, 46, 33, 38, 29, 35, 62, 37] by [ 0.124 -0.649 0.803] angstrom ... | data_image0
_chemical_formula_structural Zn2Sb8H36S14N12
_chemical_formula_sum "Zn2 Sb8 H36 S14 N12"
_cell_length_a 7.313892
_cell_length_b 12.110583669999999
_cell_length_c 13.059800959999999
_cell_angle_alpha 103.33840632000002
_cell_angle_beta 90.13459461
_cell_angle_gamma... | data_image0
_chemical_formula_structural Zn2Sb8H36S14N12
_chemical_formula_sum "Zn2 Sb8 H36 S14 N12"
_cell_length_a 7.313892
_cell_length_b 12.110583669999999
_cell_length_c 13.059800959999999
_cell_angle_alpha 103.33840632000002
_cell_angle_beta 90.13459461
_cell_angle_gamma... |
MoveSelectedAtomsAction | 2c470ae0-484f-421b-9baf-70976768560c | mp-1522623 | Move atoms at indices [16, 5, 9, 2, 13] by [ 0.379 1.743 -0.949] angstrom in the cif file. | data_image0
_chemical_formula_structural BaCaNi4O12
_chemical_formula_sum "Ba1 Ca1 Ni4 O12"
_cell_length_a 5.53109635
_cell_length_b 5.53109635
_cell_length_c 7.7504093
_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 BaCaNi4O12
_chemical_formula_sum "Ba1 Ca1 Ni4 O12"
_cell_length_a 5.53109635
_cell_length_b 5.53109635
_cell_length_c 7.7504093
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveSelectedAtomsAction | ef7a2bec-5c3b-4789-918e-2fc645c73229 | mp-559041 | Move atoms at indices [22, 4, 17] by [-3.369 -0.512 -2.073] angstrom in the cif file. | data_image0
_chemical_formula_structural Tl2Mo4Cl14O4
_chemical_formula_sum "Tl2 Mo4 Cl14 O4"
_cell_length_a 7.267019
_cell_length_b 9.62580344
_cell_length_c 10.28145424
_cell_angle_alpha 103.5128878
_cell_angle_beta 90.43926368
_cell_angle_gamma 109.13855377
_space_grou... | data_image0
_chemical_formula_structural Tl2Mo4Cl14O4
_chemical_formula_sum "Tl2 Mo4 Cl14 O4"
_cell_length_a 7.267019
_cell_length_b 9.62580344
_cell_length_c 10.28145424
_cell_angle_alpha 103.5128878
_cell_angle_beta 90.43926368
_cell_angle_gamma 109.13855377
_space_grou... |
MoveSelectedAtomsAction | dfc08d6f-712c-4d1d-812b-9ac806f6bba9 | mp-11677 | Move atoms at indices [9, 1, 11] by [-2.221 -2.094 -1.669] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr6Si4As8
_chemical_formula_sum "Sr6 Si4 As8"
_cell_length_a 7.41288523
_cell_length_b 8.18057683
_cell_length_c 9.634138079999998
_cell_angle_alpha 107.99968487
_cell_angle_beta 104.90105808
_cell_angle_gamma 107.46005473
_space_g... | data_image0
_chemical_formula_structural Sr6Si4As8
_chemical_formula_sum "Sr6 Si4 As8"
_cell_length_a 7.41288523
_cell_length_b 8.18057683
_cell_length_c 9.634138079999998
_cell_angle_alpha 107.99968487
_cell_angle_beta 104.90105808
_cell_angle_gamma 107.46005473
_space_g... |
MoveSelectedAtomsAction | d6145d31-09d5-4f28-898e-1e20e6566414 | mp-11609 | Move atoms at indices [6, 4, 2, 8, 9, 0, 7, 3] by [-0.795 3.235 -0.808] angstrom in the cif file. | data_image0
_chemical_formula_structural Sb2Mo4S4
_chemical_formula_sum "Sb2 Mo4 S4"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Sb2Mo4S4
_chemical_formula_sum "Sb2 Mo4 S4"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveSelectedAtomsAction | 422ef784-a6cb-447e-bdd4-d540e77d9d15 | mp-1245768 | Move atoms at indices [9] by [ 1.41 1.951 -1.355] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4Cd2N4
_chemical_formula_sum "Mg4 Cd2 N4"
_cell_length_a 7.927519
_cell_length_b 7.927519
_cell_length_c 7.927519
_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 Mg4Cd2N4
_chemical_formula_sum "Mg4 Cd2 N4"
_cell_length_a 7.927519
_cell_length_b 7.927519
_cell_length_c 7.927519
_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 | fba4ed8e-f469-49e8-b0aa-a5041b9f8883 | mp-1212370 | Move atoms at indices [3, 26, 16, 15, 20, 12, 0, 7, 8, 19] by [-2.849 0.344 -1.395] angstrom in the cif file. | data_image0
_chemical_formula_structural Ho12Ge8Rh8
_chemical_formula_sum "Ho12 Ge8 Rh8"
_cell_length_a 5.580697
_cell_length_b 7.843472
_cell_length_c 13.186739
_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 Ho12Ge8Rh8
_chemical_formula_sum "Ho12 Ge8 Rh8"
_cell_length_a 5.580697
_cell_length_b 7.843472
_cell_length_c 13.186739
_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 | 58f34710-aa5f-4325-95a1-07ad60599061 | mp-1213000 | Move atoms at indices [4, 3, 10, 18, 16, 14, 7, 13, 9, 6, 15, 21, 8, 11, 1, 17] by [-0.456 -3.473 -1.212] angstrom in the cif file. | data_image0
_chemical_formula_structural Eu2Ag2W4O16
_chemical_formula_sum "Eu2 Ag2 W4 O16"
_cell_length_a 7.55169242
_cell_length_b 7.551692420000001
_cell_length_c 7.4675343
_cell_angle_alpha 65.51367922
_cell_angle_beta 65.51367922
_cell_angle_gamma 94.10381862
_space_... | data_image0
_chemical_formula_structural Eu2Ag2W4O16
_chemical_formula_sum "Eu2 Ag2 W4 O16"
_cell_length_a 7.55169242
_cell_length_b 7.551692420000001
_cell_length_c 7.4675343
_cell_angle_alpha 65.51367922
_cell_angle_beta 65.51367922
_cell_angle_gamma 94.10381862
_space_... |
MoveSelectedAtomsAction | caa964af-abea-486e-bf82-6a1fa3bef6dd | mp-1195825 | Move atoms at indices [5, 7, 27, 28, 26, 9, 18, 6, 10, 4, 11, 13, 33, 1, 8, 29, 16, 32, 35, 20, 23, 3, 19, 12, 14, 15, 25, 2, 17, 21, 30, 24, 31, 34, 22] by [ 1.059 0.717 -2.639] angstrom in the cif file. | data_image0
_chemical_formula_structural Si12Br24
_chemical_formula_sum "Si12 Br24"
_cell_length_a 10.66445078
_cell_length_b 10.66445078
_cell_length_c 14.661101599999999
_cell_angle_alpha 72.55431714
_cell_angle_beta 72.55431714
_cell_angle_gamma 57.585469849999996
_spa... | data_image0
_chemical_formula_structural Si12Br24
_chemical_formula_sum "Si12 Br24"
_cell_length_a 10.66445078
_cell_length_b 10.66445078
_cell_length_c 14.661101599999999
_cell_angle_alpha 72.55431714
_cell_angle_beta 72.55431714
_cell_angle_gamma 57.585469849999996
_spa... |
MoveSelectedAtomsAction | d9e78d68-52ac-4d11-8e65-e515315170af | mp-4647 | Move atoms at indices [10, 3, 1, 6, 16, 12, 7, 8, 0] by [-1.088 -0.566 0.267] angstrom in the cif file. | data_image0
_chemical_formula_structural K3Cu8Se6
_chemical_formula_sum "K3 Cu8 Se6"
_cell_length_a 9.22750883
_cell_length_b 9.22750883
_cell_length_c 10.12313235
_cell_angle_alpha 75.13046743
_cell_angle_beta 75.13046743
_cell_angle_gamma 24.949460250000026
_space_group... | data_image0
_chemical_formula_structural K3Cu8Se6
_chemical_formula_sum "K3 Cu8 Se6"
_cell_length_a 9.22750883
_cell_length_b 9.22750883
_cell_length_c 10.12313235
_cell_angle_alpha 75.13046743
_cell_angle_beta 75.13046743
_cell_angle_gamma 24.949460250000026
_space_group... |
MoveSelectedAtomsAction | f13d1658-57f5-4a57-8850-4f6ee69dde5c | mp-26100 | Move atoms at indices [36, 64, 60, 30, 34, 28, 10, 31, 52, 43, 0, 29, 58, 35, 38, 3, 63, 6, 13, 61, 4, 7, 51, 59, 57, 42, 17, 16, 33, 47, 20, 26, 25, 62, 65, 40, 39, 55, 37, 54, 23, 15, 32, 1, 21, 12, 46, 56, 19, 14, 5, 45, 48, 2, 67, 9, 24, 53, 11, 50, 44, 8, 66] by [-1.124 2.671 -2.209] angstrom in the cif file. | data_image0
_chemical_formula_structural Bi8P12O48
_chemical_formula_sum "Bi8 P12 O48"
_cell_length_a 9.120766
_cell_length_b 9.141018
_cell_length_c 15.47386341
_cell_angle_alpha 54.48873889
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Bi8P12O48
_chemical_formula_sum "Bi8 P12 O48"
_cell_length_a 9.120766
_cell_length_b 9.141018
_cell_length_c 15.47386341
_cell_angle_alpha 54.48873889
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveSelectedAtomsAction | 95f398e2-7eb9-42bc-be8a-629fbe78d338 | mp-752777 | Move atoms at indices [2, 12, 9] by [-1.909 1.428 2.062] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Fe3CoO8
_chemical_formula_sum "Li4 Fe3 Co1 O8"
_cell_length_a 5.95231481
_cell_length_b 5.952314810000001
_cell_length_c 5.09858763
_cell_angle_alpha 73.25624736
_cell_angle_beta 73.25624736
_cell_angle_gamma 59.330730630000005
... | data_image0
_chemical_formula_structural Li4Fe3CoO8
_chemical_formula_sum "Li4 Fe3 Co1 O8"
_cell_length_a 5.95231481
_cell_length_b 5.952314810000001
_cell_length_c 5.09858763
_cell_angle_alpha 73.25624736
_cell_angle_beta 73.25624736
_cell_angle_gamma 59.330730630000005
... |
MoveSelectedAtomsAction | 18d9f7c4-d4fe-45f8-ba45-96a6c8074ce0 | mp-1177332 | Move atoms at indices [16, 19, 9, 10, 13, 4, 0, 23, 18, 6, 7, 1] by [ 2.622 0.779 -2.257] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4MnFe3B4O12
_chemical_formula_sum "Li4 Mn1 Fe3 B4 O12"
_cell_length_a 5.209459
_cell_length_b 5.21715111
_cell_length_c 10.40281557
_cell_angle_alpha 90.67404247999998
_cell_angle_beta 91.00879627
_cell_angle_gamma 119.74463066
_... | data_image0
_chemical_formula_structural Li4MnFe3B4O12
_chemical_formula_sum "Li4 Mn1 Fe3 B4 O12"
_cell_length_a 5.209459
_cell_length_b 5.21715111
_cell_length_c 10.40281557
_cell_angle_alpha 90.67404247999998
_cell_angle_beta 91.00879627
_cell_angle_gamma 119.74463066
_... |
MoveSelectedAtomsAction | 49a840f9-11cc-46a4-84b0-1571dfc4d5d0 | mp-1516486 | Move atoms at indices [2, 7, 0, 8] by [-2.152 3.377 3.031] angstrom in the cif file. | data_image0
_chemical_formula_structural SrNdNiBiO6
_chemical_formula_sum "Sr1 Nd1 Ni1 Bi1 O6"
_cell_length_a 5.77449881
_cell_length_b 5.774498810000001
_cell_length_c 5.77449881
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 60.0... | data_image0
_chemical_formula_structural SrNdNiBiO6
_chemical_formula_sum "Sr1 Nd1 Ni1 Bi1 O6"
_cell_length_a 5.77449881
_cell_length_b 5.774498810000001
_cell_length_c 5.77449881
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 60.0... |
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