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 | 9acc1686-2670-4fa0-a9f8-8cde4c4522b3 | mp-1048365 | Move atoms at indices [7, 2, 5, 0, 6, 3, 1, 10, 8] by [-0.42 -0.276 -0.414] angstrom in the cif file. | data_image0
_chemical_formula_structural Y2Cu3O6
_chemical_formula_sum "Y2 Cu3 O6"
_cell_length_a 18.52778685
_cell_length_b 6.30067658
_cell_length_c 6.30067686
_cell_angle_alpha 32.74254941000001
_cell_angle_beta 31.96551137
_cell_angle_gamma 31.96550588999998
_space_gr... | data_image0
_chemical_formula_structural Y2Cu3O6
_chemical_formula_sum "Y2 Cu3 O6"
_cell_length_a 18.52778685
_cell_length_b 6.30067658
_cell_length_c 6.30067686
_cell_angle_alpha 32.74254941000001
_cell_angle_beta 31.96551137
_cell_angle_gamma 31.96550588999998
_space_gr... |
MoveSelectedAtomsAction | 9cdba14a-719c-4123-8d35-eea342a8d05e | mp-775212 | Move atoms at indices [35, 6, 18, 9, 24, 34, 0, 31, 23, 30, 5, 27, 8, 32, 10, 20, 16, 33, 7, 17, 3, 26, 11, 29, 2, 13, 25, 12] by [-1.493 1.188 0.276] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn2V4P6O24
_chemical_formula_sum "Mn2 V4 P6 O24"
_cell_length_a 8.63937039
_cell_length_b 8.639370389999998
_cell_length_c 8.63937038
_cell_angle_alpha 59.98629868
_cell_angle_beta 59.98629868
_cell_angle_gamma 59.986289840000005
_... | data_image0
_chemical_formula_structural Mn2V4P6O24
_chemical_formula_sum "Mn2 V4 P6 O24"
_cell_length_a 8.63937039
_cell_length_b 8.639370389999998
_cell_length_c 8.63937038
_cell_angle_alpha 59.98629868
_cell_angle_beta 59.98629868
_cell_angle_gamma 59.986289840000005
_... |
MoveSelectedAtomsAction | 82946ed8-be2c-4048-9e93-cd2b2c65ff47 | mp-1245687 | Move atoms at indices [14, 7, 33, 4, 17, 23] by [-1.367 -0.488 -3.343] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta16Te12N8
_chemical_formula_sum "Ta16 Te12 N8"
_cell_length_a 5.530197
_cell_length_b 10.747467
_cell_length_c 15.00584
_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 Ta16Te12N8
_chemical_formula_sum "Ta16 Te12 N8"
_cell_length_a 5.530197
_cell_length_b 10.747467
_cell_length_c 15.00584
_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 | c68d005e-d68c-432d-aa8d-8f62c362767f | mp-556409 | Move atoms at indices [5, 18, 7, 32, 4, 13, 25, 17, 15, 0, 23, 6, 28, 10, 1, 9, 29, 20, 8, 14, 22, 27, 24, 30, 31, 19] by [-0.567 0.258 -2.03 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba7Ca2Mn5O20
_chemical_formula_sum "Ba7 Ca2 Mn5 O20"
_cell_length_a 17.75532635
_cell_length_b 17.75532635
_cell_length_c 17.75532621
_cell_angle_alpha 19.146729829999988
_cell_angle_beta 19.146729830000023
_cell_angle_gamma 19.1467... | data_image0
_chemical_formula_structural Ba7Ca2Mn5O20
_chemical_formula_sum "Ba7 Ca2 Mn5 O20"
_cell_length_a 17.75532635
_cell_length_b 17.75532635
_cell_length_c 17.75532621
_cell_angle_alpha 19.146729829999988
_cell_angle_beta 19.146729830000023
_cell_angle_gamma 19.1467... |
MoveSelectedAtomsAction | daa695d3-be34-4f87-8f01-cb004e2ed0cd | mp-1221261 | Move atoms at indices [19, 12, 25, 7, 38, 23, 1, 0, 36, 18, 16, 2, 31, 34] by [-0.89 1.168 -1.013] angstrom in the cif file. | data_image0
_chemical_formula_structural Na3CaSc3ZnSi8O24
_chemical_formula_sum "Na3 Ca1 Sc3 Zn1 Si8 O24"
_cell_length_a 9.127381
_cell_length_b 5.376768
_cell_length_c 9.8600124
_cell_angle_alpha 75.33170251
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Na3CaSc3ZnSi8O24
_chemical_formula_sum "Na3 Ca1 Sc3 Zn1 Si8 O24"
_cell_length_a 9.127381
_cell_length_b 5.376768
_cell_length_c 9.8600124
_cell_angle_alpha 75.33170251
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
MoveSelectedAtomsAction | 606b667e-5fce-4b4a-971b-10f96ef69788 | mp-15203 | Move atoms at indices [22, 9, 38, 49, 55, 11, 78, 25, 76, 59, 27, 30, 74, 8, 29, 6, 14, 50, 41, 39, 47, 73, 68, 4, 69, 45, 19, 13, 20, 10, 5, 35, 52, 0, 7, 70, 34, 66, 42, 61, 24, 48, 33, 56, 32, 46, 36, 43, 64, 51, 81, 17, 79, 57, 65, 63, 2, 31, 75, 28, 15] by [-1.535 -0.085 1.467] angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Ca24W8N32O6
_chemical_formula_sum "Li12 Ca24 W8 N32 O6"
_cell_length_a 11.40762068
_cell_length_b 11.407620390000002
_cell_length_c 11.407621
_cell_angle_alpha 109.47121994000001
_cell_angle_beta 109.47121942999999
_cell_angle_gamm... | data_image0
_chemical_formula_structural Li12Ca24W8N32O6
_chemical_formula_sum "Li12 Ca24 W8 N32 O6"
_cell_length_a 11.40762068
_cell_length_b 11.407620390000002
_cell_length_c 11.407621
_cell_angle_alpha 109.47121994000001
_cell_angle_beta 109.47121942999999
_cell_angle_gamm... |
MoveSelectedAtomsAction | d91a270f-385d-4448-8187-fe592886c01a | mp-1205925 | Move atoms at indices [6] by [ 5.893 -2.809 -0.313] angstrom in the cif file. | data_image0
_chemical_formula_structural Sm4In2Au4
_chemical_formula_sum "Sm4 In2 Au4"
_cell_length_a 8.02911356
_cell_length_b 8.02911356
_cell_length_c 3.80318969
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Sm4In2Au4
_chemical_formula_sum "Sm4 In2 Au4"
_cell_length_a 8.02911356
_cell_length_b 8.02911356
_cell_length_c 3.80318969
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveSelectedAtomsAction | 7a7b72a7-2ee9-4f02-9d8c-942718f359a6 | mp-27653 | Move atoms at indices [10, 1, 21, 7, 9, 11, 0, 6, 12, 2, 13, 8, 3, 22, 4, 20, 14, 5, 16, 23, 19, 18, 15] by [ 0.23 -0.787 1.384] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Al4H16
_chemical_formula_sum "Li4 Al4 H16"
_cell_length_a 7.8247
_cell_length_b 4.861909
_cell_length_c 7.87004681
_cell_angle_alpha 68.19494442
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Li4Al4H16
_chemical_formula_sum "Li4 Al4 H16"
_cell_length_a 7.8247
_cell_length_b 4.861909
_cell_length_c 7.87004681
_cell_angle_alpha 68.19494442
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveSelectedAtomsAction | d7e0e378-6712-447f-a6c1-c4a382a1c3f3 | mp-557634 | Move atoms at indices [21, 22, 28, 27, 14, 0, 10, 20, 6, 2, 12, 8, 30] by [-0.545 -1.445 -0.915] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2V6P6O24
_chemical_formula_sum "Na2 V6 P6 O24"
_cell_length_a 9.16078611
_cell_length_b 9.16078611
_cell_length_c 9.16078611
_cell_angle_alpha 137.98311874
_cell_angle_beta 108.69638476
_cell_angle_gamma 86.35921864
_space_group_... | data_image0
_chemical_formula_structural Na2V6P6O24
_chemical_formula_sum "Na2 V6 P6 O24"
_cell_length_a 9.16078611
_cell_length_b 9.16078611
_cell_length_c 9.16078611
_cell_angle_alpha 137.98311874
_cell_angle_beta 108.69638476
_cell_angle_gamma 86.35921864
_space_group_... |
MoveSelectedAtomsAction | b6308a27-22a3-438f-8136-1186f5c58f08 | mp-556517 | Move atoms at indices [0, 14, 12, 8, 1, 7, 10, 11, 17, 15, 18, 16, 13, 2, 5, 19, 3, 9, 6] by [-0.255 1.675 0.873] angstrom in the cif file. | data_image0
_chemical_formula_structural K8Pb4O8
_chemical_formula_sum "K8 Pb4 O8"
_cell_length_a 7.32732357
_cell_length_b 7.51094697
_cell_length_c 9.97597018
_cell_angle_alpha 84.71945142
_cell_angle_beta 69.92506192
_cell_angle_gamma 61.17031928000001
_space_group_nam... | data_image0
_chemical_formula_structural K8Pb4O8
_chemical_formula_sum "K8 Pb4 O8"
_cell_length_a 7.32732357
_cell_length_b 7.51094697
_cell_length_c 9.97597018
_cell_angle_alpha 84.71945142
_cell_angle_beta 69.92506192
_cell_angle_gamma 61.17031928000001
_space_group_nam... |
MoveSelectedAtomsAction | 1101cf6f-30fc-4b7e-8192-9a60fa618318 | mp-1239078 | Move atoms at indices [1, 28, 23, 10, 5, 25] by [-1.913 -0.002 -0.305] angstrom in the cif file. | data_image0
_chemical_formula_structural Ho8Bi16C8
_chemical_formula_sum "Ho8 Bi16 C8"
_cell_length_a 10.729442
_cell_length_b 10.729442
_cell_length_c 7.145487
_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 Ho8Bi16C8
_chemical_formula_sum "Ho8 Bi16 C8"
_cell_length_a 10.729442
_cell_length_b 10.729442
_cell_length_c 7.145487
_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 | 3c1aca01-b3a7-4635-a84b-d7514db873b2 | mp-1105068 | Move atoms at indices [5, 6, 4, 9, 11, 7, 8, 1, 0, 3, 2, 10] by [-2.488 -2.304 -0.615] angstrom in the cif file. | data_image0
_chemical_formula_structural BaYFe4O7
_chemical_formula_sum "Ba1 Y1 Fe4 O7"
_cell_length_a 6.47491245
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamma 87.49632515
_space_g... | data_image0
_chemical_formula_structural BaYFe4O7
_chemical_formula_sum "Ba1 Y1 Fe4 O7"
_cell_length_a 6.47491245
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamma 87.49632515
_space_g... |
MoveSelectedAtomsAction | 21d3fb7e-d072-4800-bcf2-516792945a24 | mp-857354 | Move atoms at indices [29, 13, 19, 24, 18, 14, 15, 4, 25] by [ 2.006 -0.766 0.399] angstrom in the cif file. | data_image0
_chemical_formula_structural LiSn3SbP6O24
_chemical_formula_sum "Li1 Sn3 Sb1 P6 O24"
_cell_length_a 8.97603583
_cell_length_b 8.97603583
_cell_length_c 8.97603585
_cell_angle_alpha 58.29544487000001
_cell_angle_beta 58.29544487
_cell_angle_gamma 58.295447260000... | data_image0
_chemical_formula_structural LiSn3SbP6O24
_chemical_formula_sum "Li1 Sn3 Sb1 P6 O24"
_cell_length_a 8.97603583
_cell_length_b 8.97603583
_cell_length_c 8.97603585
_cell_angle_alpha 58.29544487000001
_cell_angle_beta 58.29544487
_cell_angle_gamma 58.295447260000... |
MoveSelectedAtomsAction | 7a83ab59-786c-4b5d-8e44-21393e9f0bb5 | mp-705680 | Move atoms at indices [25, 12, 9] by [ 3.498 -1.932 0.228] 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 | 7f000cfc-824a-49d1-895b-2299014f17cb | mp-766004 | Move atoms at indices [13, 9, 43, 34, 20, 1, 38, 35, 19, 0, 5, 41, 29, 15, 33, 12, 40, 16, 26, 2, 36, 22, 4, 23, 3, 8, 30, 17, 7, 31, 18, 39, 24, 32, 25, 21, 14, 11] by [-2.272 0.424 -0.8 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8V4C8O24
_chemical_formula_sum "Li8 V4 C8 O24"
_cell_length_a 4.904079
_cell_length_b 13.0407102
_cell_length_c 8.422585780000002
_cell_angle_alpha 100.73298235
_cell_angle_beta 89.99971249000001
_cell_angle_gamma 90.00009645
_sp... | data_image0
_chemical_formula_structural Li8V4C8O24
_chemical_formula_sum "Li8 V4 C8 O24"
_cell_length_a 4.904079
_cell_length_b 13.0407102
_cell_length_c 8.422585780000002
_cell_angle_alpha 100.73298235
_cell_angle_beta 89.99971249000001
_cell_angle_gamma 90.00009645
_sp... |
MoveSelectedAtomsAction | 02c67206-a0ee-4fa9-9b8b-0f18e4ff2bb1 | mp-1228545 | Move atoms at indices [22, 0, 20, 7, 16, 11, 24, 3, 8, 15, 17, 23, 18, 4] by [1.026 1.711 0.593] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Sr2Y2Cu6O13
_chemical_formula_sum "Ba2 Sr2 Y2 Cu6 O13"
_cell_length_a 12.40091246
_cell_length_b 12.37274741
_cell_length_c 5.46917834
_cell_angle_alpha 77.5339258
_cell_angle_beta 76.95836211
_cell_angle_gamma 25.507712090000005... | data_image0
_chemical_formula_structural Ba2Sr2Y2Cu6O13
_chemical_formula_sum "Ba2 Sr2 Y2 Cu6 O13"
_cell_length_a 12.40091246
_cell_length_b 12.37274741
_cell_length_c 5.46917834
_cell_angle_alpha 77.5339258
_cell_angle_beta 76.95836211
_cell_angle_gamma 25.507712090000005... |
MoveSelectedAtomsAction | 40013c1f-6554-4f31-9c46-bf958e6553e1 | mp-1201281 | Move atoms at indices [28, 9, 22, 15, 25, 17, 34, 30, 0, 6, 27, 12, 20, 23, 2, 38, 35, 13, 19, 37, 26, 1, 8] by [-0.527 -0.292 -2.47 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs4Np4Mo4O28
_chemical_formula_sum "Cs4 Np4 Mo4 O28"
_cell_length_a 8.198976
_cell_length_b 9.448569
_cell_length_c 10.543912
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Cs4Np4Mo4O28
_chemical_formula_sum "Cs4 Np4 Mo4 O28"
_cell_length_a 8.198976
_cell_length_b 9.448569
_cell_length_c 10.543912
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
MoveSelectedAtomsAction | c033fa7b-55dc-43f9-b245-954d19245fcc | mp-14485 | Move atoms at indices [13, 12, 32, 26, 46, 33, 50, 37, 3, 23, 18, 30, 1, 17, 22, 29, 31, 51, 4, 40, 21, 36, 41, 19, 27, 53, 39, 34] by [ 1.656 -2.241 0.32 ] angstrom in the cif file. | data_image0
_chemical_formula_structural La2Ta14O38
_chemical_formula_sum "La2 Ta14 O38"
_cell_length_a 6.25040787
_cell_length_b 6.250408
_cell_length_c 20.044161369999998
_cell_angle_alpha 89.99992227
_cell_angle_beta 89.99994067
_cell_angle_gamma 119.99979361999999
_sp... | data_image0
_chemical_formula_structural La2Ta14O38
_chemical_formula_sum "La2 Ta14 O38"
_cell_length_a 6.25040787
_cell_length_b 6.250408
_cell_length_c 20.044161369999998
_cell_angle_alpha 89.99992227
_cell_angle_beta 89.99994067
_cell_angle_gamma 119.99979361999999
_sp... |
MoveSelectedAtomsAction | e38a90b0-0635-4b16-b33a-cef7b22905d4 | mp-696189 | Move atoms at indices [11, 15, 43, 22, 18, 2, 40, 36, 42, 9, 29, 33, 28, 31, 13] by [-1.788 -0.423 1.972] angstrom in the cif file. | data_image0
_chemical_formula_structural Tl2H12N6O24
_chemical_formula_sum "Tl2 H12 N6 O24"
_cell_length_a 7.88195585
_cell_length_b 7.88195585
_cell_length_c 7.88195497
_cell_angle_alpha 100.66060389999998
_cell_angle_beta 100.66060389999998
_cell_angle_gamma 100.66059958... | data_image0
_chemical_formula_structural Tl2H12N6O24
_chemical_formula_sum "Tl2 H12 N6 O24"
_cell_length_a 7.88195585
_cell_length_b 7.88195585
_cell_length_c 7.88195497
_cell_angle_alpha 100.66060389999998
_cell_angle_beta 100.66060389999998
_cell_angle_gamma 100.66059958... |
MoveSelectedAtomsAction | 339ebf47-fc12-48bf-9eaf-d0127786bcbd | mp-1217387 | Move atoms at indices [0, 2, 7, 6, 9] by [-0.878 0.262 -1.456] angstrom in the cif file. | data_image0
_chemical_formula_structural U2Ge4Rh4
_chemical_formula_sum "U2 Ge4 Rh4"
_cell_length_a 5.031406
_cell_length_b 5.031406
_cell_length_c 7.612934
_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 U2Ge4Rh4
_chemical_formula_sum "U2 Ge4 Rh4"
_cell_length_a 5.031406
_cell_length_b 5.031406
_cell_length_c 7.612934
_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 | 6ef4a5cc-aa54-471c-8966-7d1926b1e871 | mp-1103193 | Move atoms at indices [2, 4, 5, 9, 10, 6, 11, 7, 3] by [-1.354 -0.893 -0.417] angstrom in the cif file. | data_image0
_chemical_formula_structural Eu4Al4Au4
_chemical_formula_sum "Eu4 Al4 Au4"
_cell_length_a 4.62465214
_cell_length_b 7.53465221
_cell_length_c 7.71137775
_cell_angle_alpha 90.00196137
_cell_angle_beta 89.99997352
_cell_angle_gamma 89.99999955000001
_space_group... | data_image0
_chemical_formula_structural Eu4Al4Au4
_chemical_formula_sum "Eu4 Al4 Au4"
_cell_length_a 4.62465214
_cell_length_b 7.53465221
_cell_length_c 7.71137775
_cell_angle_alpha 90.00196137
_cell_angle_beta 89.99997352
_cell_angle_gamma 89.99999955000001
_space_group... |
MoveSelectedAtomsAction | 2cc5ca8d-bc42-42bc-a101-8d5545b9d888 | mp-1229180 | Move atoms at indices [1, 30, 15] by [ 2.487 2.232 -0.81 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ag8Sb5As3S16
_chemical_formula_sum "Ag8 Sb5 As3 S16"
_cell_length_a 5.973633
_cell_length_b 8.81196699
_cell_length_c 13.715369
_cell_angle_alpha 95.73033089
_cell_angle_beta 90.35217693
_cell_angle_gamma 90.08628863
_space_group_n... | data_image0
_chemical_formula_structural Ag8Sb5As3S16
_chemical_formula_sum "Ag8 Sb5 As3 S16"
_cell_length_a 5.973633
_cell_length_b 8.81196699
_cell_length_c 13.715369
_cell_angle_alpha 95.73033089
_cell_angle_beta 90.35217693
_cell_angle_gamma 90.08628863
_space_group_n... |
MoveSelectedAtomsAction | 9d296655-f6f3-4858-9246-3ebea1698f36 | mp-568422 | Move atoms at indices [8] by [-2.076 -1.301 3.015] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2Ag2C4N4
_chemical_formula_sum "Na2 Ag2 C4 N4"
_cell_length_a 3.84354959
_cell_length_b 3.84354959
_cell_length_c 17.64199814
_cell_angle_alpha 88.71636565
_cell_angle_beta 88.71636565
_cell_angle_gamma 59.55760556999999
_space_g... | data_image0
_chemical_formula_structural Na2Ag2C4N4
_chemical_formula_sum "Na2 Ag2 C4 N4"
_cell_length_a 3.84354959
_cell_length_b 3.84354959
_cell_length_c 17.64199814
_cell_angle_alpha 88.71636565
_cell_angle_beta 88.71636565
_cell_angle_gamma 59.55760556999999
_space_g... |
MoveSelectedAtomsAction | f93c0d2e-85b6-4443-bc69-089fc2cf6223 | mp-1213761 | Move atoms at indices [5, 20, 4, 8, 19, 15, 12, 30, 21] by [2.102 1.511 2.68 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr4Ni8B4O20
_chemical_formula_sum "Cr4 Ni8 B4 O20"
_cell_length_a 3.031867
_cell_length_b 9.311684
_cell_length_c 12.240526
_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 Cr4Ni8B4O20
_chemical_formula_sum "Cr4 Ni8 B4 O20"
_cell_length_a 3.031867
_cell_length_b 9.311684
_cell_length_c 12.240526
_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 | a29746ec-2f9c-4549-b40c-7f82b8a5c2cb | mp-557801 | Move atoms at indices [47, 69, 35, 60, 54, 8, 13, 43, 38, 17, 24, 14, 48, 10, 50, 68, 65, 66, 11, 22, 23, 87, 3, 26, 88, 15, 2, 28, 77, 73, 1, 80, 29, 74, 55, 75, 39, 67, 76, 41, 0, 79, 64, 33, 51, 16, 56, 59, 34, 83, 4] by [ 3.215 -1.36 1.096] angstrom in the cif file. | data_image0
_chemical_formula_structural K2Ba6Ca8V14Cu6O56
_chemical_formula_sum "K2 Ba6 Ca8 V14 Cu6 O56"
_cell_length_a 11.42723405
_cell_length_b 11.42723405
_cell_length_c 12.455723
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000031
_space_grou... | data_image0
_chemical_formula_structural K2Ba6Ca8V14Cu6O56
_chemical_formula_sum "K2 Ba6 Ca8 V14 Cu6 O56"
_cell_length_a 11.42723405
_cell_length_b 11.42723405
_cell_length_c 12.455723
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000031
_space_grou... |
MoveSelectedAtomsAction | 0070a00e-8054-462e-a551-6681ef69d579 | mp-1202750 | Move atoms at indices [1, 32, 24, 19, 29, 26, 5, 23, 21, 30, 35, 3, 11, 22, 17, 6, 18, 4, 8] by [-2.889 0.061 1.132] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd5P12Ru19
_chemical_formula_sum "Nd5 P12 Ru19"
_cell_length_a 12.62692714
_cell_length_b 12.62692714
_cell_length_c 4.014182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000594999999
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Nd5P12Ru19
_chemical_formula_sum "Nd5 P12 Ru19"
_cell_length_a 12.62692714
_cell_length_b 12.62692714
_cell_length_c 4.014182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000594999999
_space_group_name_H-M_a... |
MoveSelectedAtomsAction | 99c88a71-dcb9-4554-9242-d2abd5dddcdb | mp-1104719 | Move atoms at indices [0, 7, 10, 1, 8] by [-2.222 0.692 1.689] angstrom in the cif file. | data_image0
_chemical_formula_structural GdAl8Fe4
_chemical_formula_sum "Gd1 Al8 Fe4"
_cell_length_a 5.103752
_cell_length_b 6.78118467
_cell_length_c 6.78118467
_cell_angle_alpha 81.85871374
_cell_angle_beta 67.89425664
_cell_angle_gamma 67.89425664
_space_group_name_H-M... | data_image0
_chemical_formula_structural GdAl8Fe4
_chemical_formula_sum "Gd1 Al8 Fe4"
_cell_length_a 5.103752
_cell_length_b 6.78118467
_cell_length_c 6.78118467
_cell_angle_alpha 81.85871374
_cell_angle_beta 67.89425664
_cell_angle_gamma 67.89425664
_space_group_name_H-M... |
MoveSelectedAtomsAction | 6a345b14-f0a8-41a4-9268-625d8d8d1237 | mp-1196042 | Move atoms at indices [50, 46, 53, 11, 16, 6, 8, 64, 13, 31, 1, 37, 25, 45, 15, 32, 17, 38, 65, 34, 30, 56, 44, 5, 59, 9, 42, 28, 26, 41, 54, 40, 12] by [-1.046 3.219 0.158] angstrom in the cif file. | data_image0
_chemical_formula_structural Na4H36Pt2N12F12
_chemical_formula_sum "Na4 H36 Pt2 N12 F12"
_cell_length_a 8.85184657
_cell_length_b 8.85184657
_cell_length_c 12.09539409
_cell_angle_alpha 98.80362747
_cell_angle_beta 103.44069572
_cell_angle_gamma 118.24613566
_... | data_image0
_chemical_formula_structural Na4H36Pt2N12F12
_chemical_formula_sum "Na4 H36 Pt2 N12 F12"
_cell_length_a 8.85184657
_cell_length_b 8.85184657
_cell_length_c 12.09539409
_cell_angle_alpha 98.80362747
_cell_angle_beta 103.44069572
_cell_angle_gamma 118.24613566
_... |
MoveSelectedAtomsAction | e301bacc-750b-4c17-8eb7-f8c7cd8743a7 | mp-1347506 | Move atoms at indices [3, 9, 14, 18, 1, 13, 0, 6, 10, 11, 2, 15, 4, 7, 16, 8] by [0.949 0.363 3.991] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4Cu2Ir2O12
_chemical_formula_sum "Mg4 Cu2 Ir2 O12"
_cell_length_a 5.303478
_cell_length_b 5.072948
_cell_length_c 9.16550183
_cell_angle_alpha 57.35212348
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg4Cu2Ir2O12
_chemical_formula_sum "Mg4 Cu2 Ir2 O12"
_cell_length_a 5.303478
_cell_length_b 5.072948
_cell_length_c 9.16550183
_cell_angle_alpha 57.35212348
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | fed0f3d2-1cf2-4323-a80a-8c25b549d197 | mp-777558 | Move atoms at indices [67, 14, 94, 54, 81, 90, 35, 24, 42, 39, 71, 58, 10, 13, 21, 5, 23, 30, 45, 9, 17, 79, 26, 29, 57, 64, 70, 31, 15, 2, 72, 93, 87, 49, 77, 91, 18, 68, 61, 78, 59, 6, 43, 63, 83, 51, 3, 25, 40, 50, 37, 56, 33, 55, 82, 4, 62, 22, 20, 92, 34, 36, 52, 11, 32, 28, 44, 41, 8, 73, 12, 27, 48, 16, 0, 47, 1... | data_image0
_chemical_formula_structural Li32Ti3Cr13O48
_chemical_formula_sum "Li32 Ti3 Cr13 O48"
_cell_length_a 5.054473
_cell_length_b 8.74335811
_cell_length_c 19.54708124
_cell_angle_alpha 97.99953062
_cell_angle_beta 94.93879759
_cell_angle_gamma 89.58071161
_space_g... | data_image0
_chemical_formula_structural Li32Ti3Cr13O48
_chemical_formula_sum "Li32 Ti3 Cr13 O48"
_cell_length_a 5.054473
_cell_length_b 8.74335811
_cell_length_c 19.54708124
_cell_angle_alpha 97.99953062
_cell_angle_beta 94.93879759
_cell_angle_gamma 89.58071161
_space_g... |
MoveSelectedAtomsAction | 76d4fc87-03c5-4b33-a332-71e1fe9c021a | mp-1080028 | Move atoms at indices [4, 5, 8] by [ 1.239 -0.422 1.17 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2ZrTiO6
_chemical_formula_sum "Sr2 Zr1 Ti1 O6"
_cell_length_a 5.74935971
_cell_length_b 5.74935971
_cell_length_c 5.74935971
_cell_angle_alpha 120.33852864999999
_cell_angle_beta 120.33852864999999
_cell_angle_gamma 89.4146445
_s... | data_image0
_chemical_formula_structural Sr2ZrTiO6
_chemical_formula_sum "Sr2 Zr1 Ti1 O6"
_cell_length_a 5.74935971
_cell_length_b 5.74935971
_cell_length_c 5.74935971
_cell_angle_alpha 120.33852864999999
_cell_angle_beta 120.33852864999999
_cell_angle_gamma 89.4146445
_s... |
MoveSelectedAtomsAction | 854ad861-a827-413e-9bee-917fe54d4c07 | mp-1175073 | Move atoms at indices [8, 16, 17, 20, 0, 13, 23, 4, 5, 14, 2] by [1.489 0.292 0.447] angstrom in the cif file. | data_image0
_chemical_formula_structural Li7Mn2Co3O12
_chemical_formula_sum "Li7 Mn2 Co3 O12"
_cell_length_a 8.813284
_cell_length_b 5.034429
_cell_length_c 5.11380087
_cell_angle_alpha 70.78771484
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li7Mn2Co3O12
_chemical_formula_sum "Li7 Mn2 Co3 O12"
_cell_length_a 8.813284
_cell_length_b 5.034429
_cell_length_c 5.11380087
_cell_angle_alpha 70.78771484
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 4c3fbe20-1a01-4441-937b-e8cd0c7d82f9 | mp-1228475 | Move atoms at indices [44, 46, 39, 10, 33, 8, 42, 0, 47, 32, 37, 9, 45, 28, 7, 14, 35] by [-3.107 -0.135 -0.427] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba10Mn2Co8O28
_chemical_formula_sum "Ba10 Mn2 Co8 O28"
_cell_length_a 5.789929
_cell_length_b 10.016607
_cell_length_c 12.0896831
_cell_angle_alpha 89.94737559
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba10Mn2Co8O28
_chemical_formula_sum "Ba10 Mn2 Co8 O28"
_cell_length_a 5.789929
_cell_length_b 10.016607
_cell_length_c 12.0896831
_cell_angle_alpha 89.94737559
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | f61b94e9-48a4-44d0-b29f-aeb92cf7de47 | mp-505638 | Move atoms at indices [33, 5, 9, 38, 14, 12, 4, 8, 30, 6, 17, 7, 20, 22, 2, 10, 15, 34, 24, 16, 1, 36, 21, 25, 39, 29, 31, 27, 13, 26, 3] by [0.717 0.55 0.514] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb12Cr4Se24
_chemical_formula_sum "Tb12 Cr4 Se24"
_cell_length_a 3.93849841
_cell_length_b 13.95269839
_cell_length_c 16.78435688
_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 Tb12Cr4Se24
_chemical_formula_sum "Tb12 Cr4 Se24"
_cell_length_a 3.93849841
_cell_length_b 13.95269839
_cell_length_c 16.78435688
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveSelectedAtomsAction | 5c80d9bb-ba08-401c-b9b4-efd79cf79e4f | mp-2227274 | Move atoms at indices [3, 4, 0] by [ 2.438 -0.709 -0.642] angstrom in the cif file. | data_image0
_chemical_formula_structural MgW2Br4O4
_chemical_formula_sum "Mg1 W2 Br4 O4"
_cell_length_a 3.90211479
_cell_length_b 7.882914479999999
_cell_length_c 9.200331650000003
_cell_angle_alpha 90.65751333
_cell_angle_beta 90.02104745000001
_cell_angle_gamma 90.180800... | data_image0
_chemical_formula_structural MgW2Br4O4
_chemical_formula_sum "Mg1 W2 Br4 O4"
_cell_length_a 3.90211479
_cell_length_b 7.882914479999999
_cell_length_c 9.200331650000003
_cell_angle_alpha 90.65751333
_cell_angle_beta 90.02104745000001
_cell_angle_gamma 90.180800... |
MoveSelectedAtomsAction | 71cc040b-50fd-46c6-a51e-5240f1351e09 | mp-773104 | Move atoms at indices [0, 64, 46, 4, 15, 91, 26, 18, 66, 22, 41, 10, 38, 8, 74, 69, 47, 14, 71, 82, 92, 28, 23, 11, 40, 45, 35, 49, 7, 65, 5, 39] by [ 0.233 -1.191 -1.678] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr24Fe16O55
_chemical_formula_sum "Sr24 Fe16 O55"
_cell_length_a 11.92926253
_cell_length_b 11.92926253
_cell_length_c 11.06873282
_cell_angle_alpha 76.58739133
_cell_angle_beta 76.58739133
_cell_angle_gamma 117.50833022000002
_spa... | data_image0
_chemical_formula_structural Sr24Fe16O55
_chemical_formula_sum "Sr24 Fe16 O55"
_cell_length_a 11.92926253
_cell_length_b 11.92926253
_cell_length_c 11.06873282
_cell_angle_alpha 76.58739133
_cell_angle_beta 76.58739133
_cell_angle_gamma 117.50833022000002
_spa... |
MoveSelectedAtomsAction | 14c2dde7-a4ee-4310-8451-66eca666e648 | mp-1644899 | Move atoms at indices [32, 17, 40, 33, 39, 16, 28, 10, 0, 27, 9] by [4.904 0.555 3.767] angstrom in the cif file. | data_image0
_chemical_formula_structural Li6V4C8O24
_chemical_formula_sum "Li6 V4 C8 O24"
_cell_length_a 7.66037472
_cell_length_b 7.65804484
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_angle_beta 106.37065208
_cell_angle_gamma 72.72422425
_space_group_n... | data_image0
_chemical_formula_structural Li6V4C8O24
_chemical_formula_sum "Li6 V4 C8 O24"
_cell_length_a 7.66037472
_cell_length_b 7.65804484
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_angle_beta 106.37065208
_cell_angle_gamma 72.72422425
_space_group_n... |
MoveSelectedAtomsAction | eeb07512-3a37-460e-9072-999c41b84d5c | mp-1183955 | Move atoms at indices [8, 3, 6, 5, 2, 7, 10, 1, 11, 4, 0] by [ 2.869 -0.345 -1.685] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs4H4S4
_chemical_formula_sum "Cs4 H4 S4"
_cell_length_a 7.45097573
_cell_length_b 7.45097573
_cell_length_c 7.45097573
_cell_angle_alpha 112.21452372999998
_cell_angle_beta 112.21452372999998
_cell_angle_gamma 104.11382687999999
_... | data_image0
_chemical_formula_structural Cs4H4S4
_chemical_formula_sum "Cs4 H4 S4"
_cell_length_a 7.45097573
_cell_length_b 7.45097573
_cell_length_c 7.45097573
_cell_angle_alpha 112.21452372999998
_cell_angle_beta 112.21452372999998
_cell_angle_gamma 104.11382687999999
_... |
MoveSelectedAtomsAction | dd5fb1e0-1f70-4313-904b-cef98ae2d307 | mp-770517 | Move atoms at indices [5, 14] by [-0.035 -0.804 1.175] angstrom in the cif file. | data_image0
_chemical_formula_structural Li36Al4Ni8O32
_chemical_formula_sum "Li36 Al4 Ni8 O32"
_cell_length_a 6.370312
_cell_length_b 7.510015
_cell_length_c 15.826979
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Li36Al4Ni8O32
_chemical_formula_sum "Li36 Al4 Ni8 O32"
_cell_length_a 6.370312
_cell_length_b 7.510015
_cell_length_c 15.826979
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveSelectedAtomsAction | d0f41184-e07e-4882-925d-7b30e47eb0dd | mp-1226835 | Move atoms at indices [0, 3, 5, 9, 8] by [-0.653 -1.15 -1.353] angstrom in the cif file. | data_image0
_chemical_formula_structural Ce4Al6Ru2
_chemical_formula_sum "Ce4 Al6 Ru2"
_cell_length_a 5.57111515
_cell_length_b 5.57111515
_cell_length_c 8.774832
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998989000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ce4Al6Ru2
_chemical_formula_sum "Ce4 Al6 Ru2"
_cell_length_a 5.57111515
_cell_length_b 5.57111515
_cell_length_c 8.774832
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998989000001
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | b1e82827-9e2a-46a3-8507-c450b468750a | mp-1182591 | Move atoms at indices [9] by [-0.293 -1.454 2.292] angstrom in the cif file. | data_image0
_chemical_formula_structural Ho3Sn7
_chemical_formula_sum "Ho3 Sn7"
_cell_length_a 14.33178552
_cell_length_b 14.33178552
_cell_length_c 44.53407
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 167.95461124999997
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ho3Sn7
_chemical_formula_sum "Ho3 Sn7"
_cell_length_a 14.33178552
_cell_length_b 14.33178552
_cell_length_c 44.53407
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 167.95461124999997
_space_group_name_H-M_alt "P ... |
MoveSelectedAtomsAction | 5baf1659-cdf1-45af-8ffa-19f3bdc97eac | mp-2526683 | Move atoms at indices [9, 11, 13, 16, 21, 5, 6, 19, 4, 25, 23, 15, 8, 2, 27, 10, 24, 0, 26, 3, 22, 20, 7, 18, 1] by [-1.661 0.186 -4.296] angstrom in the cif file. | data_image0
_chemical_formula_structural W7O21
_chemical_formula_sum "W7 O21"
_cell_length_a 7.4016886
_cell_length_b 7.57954804
_cell_length_c 8.43502873
_cell_angle_alpha 101.27526302999999
_cell_angle_beta 90.09988539000001
_cell_angle_gamma 90.05475677
_space_group_na... | data_image0
_chemical_formula_structural W7O21
_chemical_formula_sum "W7 O21"
_cell_length_a 7.4016886
_cell_length_b 7.57954804
_cell_length_c 8.43502873
_cell_angle_alpha 101.27526302999999
_cell_angle_beta 90.09988539000001
_cell_angle_gamma 90.05475677
_space_group_na... |
MoveSelectedAtomsAction | 7defe190-b934-448a-8b50-00b665c76b13 | mp-1245329 | Move atoms at indices [45, 5, 43, 54, 79, 63, 29, 41, 48, 27, 75, 20, 13] by [ 1.997 -0.53 1.844] angstrom in the cif file. | data_image0
_chemical_formula_structural Sn40O40
_chemical_formula_sum "Sn40 O40"
_cell_length_a 11.34094743
_cell_length_b 12.19680335
_cell_length_c 12.54310877
_cell_angle_alpha 93.1688471
_cell_angle_beta 88.2789353
_cell_angle_gamma 85.34718162
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sn40O40
_chemical_formula_sum "Sn40 O40"
_cell_length_a 11.34094743
_cell_length_b 12.19680335
_cell_length_c 12.54310877
_cell_angle_alpha 93.1688471
_cell_angle_beta 88.2789353
_cell_angle_gamma 85.34718162
_space_group_name_H-M_... |
MoveSelectedAtomsAction | 20fc3cc7-8def-474e-857e-92de70a4d741 | mp-568040 | Move atoms at indices [1, 6, 5, 10, 4, 9, 3, 2, 8] by [ 3.000e-03 -8.330e-01 -3.085e+00] angstrom in the cif file. | data_image0
_chemical_formula_structural La2AlNi9
_chemical_formula_sum "La2 Al1 Ni9"
_cell_length_a 4.95176912
_cell_length_b 4.95172729
_cell_length_c 7.98725521
_cell_angle_alpha 90.00047588
_cell_angle_beta 89.99951776
_cell_angle_gamma 119.08056806
_space_group_name_... | data_image0
_chemical_formula_structural La2AlNi9
_chemical_formula_sum "La2 Al1 Ni9"
_cell_length_a 4.95176912
_cell_length_b 4.95172729
_cell_length_c 7.98725521
_cell_angle_alpha 90.00047588
_cell_angle_beta 89.99951776
_cell_angle_gamma 119.08056806
_space_group_name_... |
MoveSelectedAtomsAction | 7775d924-8e94-4045-9c79-c7baa64d8c02 | mp-1234087 | Move atoms at indices [20, 6, 22, 25, 3, 32, 5, 28, 35, 4, 12, 21, 14, 0, 15, 8, 31, 34, 30, 27, 7, 26, 19, 18, 33, 17, 10, 13, 9, 23] by [ 3.182 0.175 -0.536] angstrom in the cif file. | data_image0
_chemical_formula_structural MgMn4Cu2P6O24
_chemical_formula_sum "Mg1 Mn4 Cu2 P6 O24"
_cell_length_a 8.35917693
_cell_length_b 8.30749622
_cell_length_c 9.38006093
_cell_angle_alpha 59.20311101
_cell_angle_beta 58.79414886
_cell_angle_gamma 62.36155787999999
_... | data_image0
_chemical_formula_structural MgMn4Cu2P6O24
_chemical_formula_sum "Mg1 Mn4 Cu2 P6 O24"
_cell_length_a 8.35917693
_cell_length_b 8.30749622
_cell_length_c 9.38006093
_cell_angle_alpha 59.20311101
_cell_angle_beta 58.79414886
_cell_angle_gamma 62.36155787999999
_... |
MoveSelectedAtomsAction | cf20a3ea-1521-4624-b6c0-99011a076b8e | mp-17177 | Move atoms at indices [15, 5, 0, 8, 30, 24, 1, 6, 11, 7, 23, 9, 33, 26, 27, 19, 18, 13, 25, 16, 14, 28, 21, 4, 2, 31, 10, 12, 29, 22, 32, 3, 35, 17, 20, 34] by [-3.678 -1.195 1.563] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb8Zn4O24
_chemical_formula_sum "Nb8 Zn4 O24"
_cell_length_a 5.05574439
_cell_length_b 5.76456888
_cell_length_c 14.2852666
_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 Nb8Zn4O24
_chemical_formula_sum "Nb8 Zn4 O24"
_cell_length_a 5.05574439
_cell_length_b 5.76456888
_cell_length_c 14.2852666
_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 | f7a80a48-eabb-4d3b-8d60-4220ab749964 | mp-24064 | Move atoms at indices [3, 12, 6] by [ 0.863 -3.694 -1.62 ] angstrom in the cif file. | data_image0
_chemical_formula_structural P4H4F8
_chemical_formula_sum "P4 H4 F8"
_cell_length_a 4.68248
_cell_length_b 6.537462
_cell_length_c 8.127723
_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 P4H4F8
_chemical_formula_sum "P4 H4 F8"
_cell_length_a 4.68248
_cell_length_b 6.537462
_cell_length_c 8.127723
_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 | 7e249789-af9b-48b2-9aea-8ea28765efe0 | mp-1022213 | Move atoms at indices [10, 8, 12] by [2.548 0.453 3.052] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg12Nb2Fe2
_chemical_formula_sum "Mg12 Nb2 Fe2"
_cell_length_a 4.830719
_cell_length_b 5.726148
_cell_length_c 10.908532
_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 Mg12Nb2Fe2
_chemical_formula_sum "Mg12 Nb2 Fe2"
_cell_length_a 4.830719
_cell_length_b 5.726148
_cell_length_c 10.908532
_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 | 8f0c774e-02cf-4caa-bcb3-1077a47a317f | mp-1112234 | Move atoms at indices [8, 9, 1, 3, 6, 4, 5, 0, 2, 7] by [-0.818 -2.767 0.771] angstrom in the cif file. | data_image0
_chemical_formula_structural K2GaHgF6
_chemical_formula_sum "K2 Ga1 Hg1 F6"
_cell_length_a 6.30962129
_cell_length_b 6.30962129
_cell_length_c 6.30962129
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural K2GaHgF6
_chemical_formula_sum "K2 Ga1 Hg1 F6"
_cell_length_a 6.30962129
_cell_length_b 6.30962129
_cell_length_c 6.30962129
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... |
MoveSelectedAtomsAction | cf079b28-d5c5-4433-b98d-bba73d1fdd62 | mp-607816 | Move atoms at indices [6, 8, 3] by [3.732 2.807 0.732] angstrom in the cif file. | data_image0
_chemical_formula_structural U4Fe4Ge4
_chemical_formula_sum "U4 Fe4 Ge4"
_cell_length_a 4.40635433
_cell_length_b 7.0081811
_cell_length_c 6.93964082
_cell_angle_alpha 94.07646617999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural U4Fe4Ge4
_chemical_formula_sum "U4 Fe4 Ge4"
_cell_length_a 4.40635433
_cell_length_b 7.0081811
_cell_length_c 6.93964082
_cell_angle_alpha 94.07646617999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | fa6b8b95-32a6-4cbb-a886-e38919ef1e7e | mp-1043054 | Move atoms at indices [48, 10, 51, 42, 50, 34, 4, 0, 22, 8, 39, 45, 17, 18, 23, 24, 20, 29, 6, 16, 33, 30, 21, 27, 47, 54, 14, 31, 1, 37, 26, 53, 3, 9, 7, 13, 12, 44, 46, 52, 35, 38, 15, 2, 49, 43, 5, 55, 40, 11, 41, 28, 19] by [ 4.413 1.789 -0.748] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti4Zn4Ni4P8O36
_chemical_formula_sum "Ti4 Zn4 Ni4 P8 O36"
_cell_length_a 6.272034
_cell_length_b 7.343253
_cell_length_c 14.359966
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ti4Zn4Ni4P8O36
_chemical_formula_sum "Ti4 Zn4 Ni4 P8 O36"
_cell_length_a 6.272034
_cell_length_b 7.343253
_cell_length_c 14.359966
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveSelectedAtomsAction | a3ac0966-c817-44bb-95aa-5b60d11d0172 | mp-1195664 | Move atoms at indices [36, 25, 14, 30, 28, 11, 33, 34, 24, 8, 7, 23, 31, 1, 4, 20, 29, 22, 37, 6, 9] by [-0.912 2.155 0.744] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr8P28Br4
_chemical_formula_sum "Sr8 P28 Br4"
_cell_length_a 9.88982955
_cell_length_b 9.88982955
_cell_length_c 9.88982955
_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 Sr8P28Br4
_chemical_formula_sum "Sr8 P28 Br4"
_cell_length_a 9.88982955
_cell_length_b 9.88982955
_cell_length_c 9.88982955
_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 | f426f969-fc89-4d0e-8035-efd27cdfbcaf | mp-28355 | Move atoms at indices [13, 0, 17, 14, 16, 20, 4] by [ 0.606 -0.136 3.894] angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Ge4Se10
_chemical_formula_sum "Na8 Ge4 Se10"
_cell_length_a 7.06809904
_cell_length_b 8.08216366
_cell_length_c 10.67419123
_cell_angle_alpha 73.4154392
_cell_angle_beta 70.84239573
_cell_angle_gamma 81.69456103000002
_space_gro... | data_image0
_chemical_formula_structural Na8Ge4Se10
_chemical_formula_sum "Na8 Ge4 Se10"
_cell_length_a 7.06809904
_cell_length_b 8.08216366
_cell_length_c 10.67419123
_cell_angle_alpha 73.4154392
_cell_angle_beta 70.84239573
_cell_angle_gamma 81.69456103000002
_space_gro... |
MoveSelectedAtomsAction | 71654a85-5fd1-4b64-a154-11d43bd42b9b | mp-755078 | Move atoms at indices [19, 20, 10] by [-0.421 -0.598 2.515] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2Ti6N2O11
_chemical_formula_sum "Sr2 Ti6 N2 O11"
_cell_length_a 7.80399505
_cell_length_b 7.803995049999999
_cell_length_c 9.33634307
_cell_angle_alpha 80.96641373
_cell_angle_beta 80.96641373
_cell_angle_gamma 28.587452199999998
... | data_image0
_chemical_formula_structural Sr2Ti6N2O11
_chemical_formula_sum "Sr2 Ti6 N2 O11"
_cell_length_a 7.80399505
_cell_length_b 7.803995049999999
_cell_length_c 9.33634307
_cell_angle_alpha 80.96641373
_cell_angle_beta 80.96641373
_cell_angle_gamma 28.587452199999998
... |
MoveSelectedAtomsAction | 88cdca3c-7b38-4c70-9fbd-cd0f9c5e7a6c | mp-2218385 | Move atoms at indices [11, 9, 1, 8, 6, 12, 3, 4, 10] by [ 1.933 -4.388 -0.864] angstrom in the cif file. | data_image0
_chemical_formula_structural MgMn4O4F4
_chemical_formula_sum "Mg1 Mn4 O4 F4"
_cell_length_a 5.23107775
_cell_length_b 6.15354861
_cell_length_c 5.17450402
_cell_angle_alpha 86.91425333000001
_cell_angle_beta 83.78431866
_cell_angle_gamma 80.50424442
_space_gro... | data_image0
_chemical_formula_structural MgMn4O4F4
_chemical_formula_sum "Mg1 Mn4 O4 F4"
_cell_length_a 5.23107775
_cell_length_b 6.15354861
_cell_length_c 5.17450402
_cell_angle_alpha 86.91425333000001
_cell_angle_beta 83.78431866
_cell_angle_gamma 80.50424442
_space_gro... |
MoveSelectedAtomsAction | 1881a9ee-a449-4507-92ae-f201ef83fc59 | mp-568987 | Move atoms at indices [2] by [-0.529 -0.798 2.429] angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Be2H8
_chemical_formula_sum "Na4 Be2 H8"
_cell_length_a 4.93980793
_cell_length_b 5.00562814
_cell_length_c 6.68633571
_cell_angle_alpha 100.78364298000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na4Be2H8
_chemical_formula_sum "Na4 Be2 H8"
_cell_length_a 4.93980793
_cell_length_b 5.00562814
_cell_length_c 6.68633571
_cell_angle_alpha 100.78364298000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 29cfcbbd-a36c-40d7-99df-542c6a6446b8 | mp-1188599 | Move atoms at indices [16, 13, 17, 12] by [-2.337 1.212 0.086] angstrom in the cif file. | data_image0
_chemical_formula_structural Gd6Sb8Au6
_chemical_formula_sum "Gd6 Sb8 Au6"
_cell_length_a 8.66466557
_cell_length_b 8.66466557
_cell_length_c 8.66466557
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_na... | data_image0
_chemical_formula_structural Gd6Sb8Au6
_chemical_formula_sum "Gd6 Sb8 Au6"
_cell_length_a 8.66466557
_cell_length_b 8.66466557
_cell_length_c 8.66466557
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_na... |
MoveSelectedAtomsAction | 6bb7c93a-0830-42da-8a30-8a3e4186b0ff | mp-1214189 | Move atoms at indices [17, 16, 41, 29, 11, 42, 30, 35, 6, 9, 21, 44, 10, 19, 1, 13, 31, 33, 15, 5] by [-1.337 -0.074 2.728] angstrom in the cif file. | data_image0
_chemical_formula_structural Be6Si6C8S2O24
_chemical_formula_sum "Be6 Si6 C8 S2 O24"
_cell_length_a 8.021437
_cell_length_b 8.021437
_cell_length_c 8.021437
_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 Be6Si6C8S2O24
_chemical_formula_sum "Be6 Si6 C8 S2 O24"
_cell_length_a 8.021437
_cell_length_b 8.021437
_cell_length_c 8.021437
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveSelectedAtomsAction | 54bc499a-2aad-40ca-9882-df5a28d67751 | mp-981356 | Move atoms at indices [1, 11, 9, 10, 4, 0, 3, 6, 7, 5] by [-3.737 -0.88 2.909] angstrom in the cif file. | data_image0
_chemical_formula_structural ZrFe6Ge6
_chemical_formula_sum "Zr1 Fe6 Ge6"
_cell_length_a 5.06194756
_cell_length_b 5.06194905
_cell_length_c 8.16529384
_cell_angle_alpha 89.99999802
_cell_angle_beta 90.00000047999998
_cell_angle_gamma 119.99898177999998
_space... | data_image0
_chemical_formula_structural ZrFe6Ge6
_chemical_formula_sum "Zr1 Fe6 Ge6"
_cell_length_a 5.06194756
_cell_length_b 5.06194905
_cell_length_c 8.16529384
_cell_angle_alpha 89.99999802
_cell_angle_beta 90.00000047999998
_cell_angle_gamma 119.99898177999998
_space... |
MoveSelectedAtomsAction | c62d65ff-ff69-4a04-90a9-4f4f7333c372 | mp-697575 | Move atoms at indices [4, 8, 0, 12, 9, 25, 1, 15, 27, 18, 23, 14, 21, 7, 17] by [-2.838 -1.341 1.001] 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 | 22ccd9c3-66ef-4eb9-bf89-aaaabd5f21b7 | mp-1233200 | Move atoms at indices [5, 18, 1] by [-4.453 0.856 -1.074] angstrom in the cif file. | data_image0
_chemical_formula_structural MgMn6O4F8
_chemical_formula_sum "Mg1 Mn6 O4 F8"
_cell_length_a 5.30340774
_cell_length_b 8.03750096
_cell_length_c 5.67783079
_cell_angle_alpha 91.17807209
_cell_angle_beta 95.38871773
_cell_angle_gamma 84.53706938
_space_group_nam... | data_image0
_chemical_formula_structural MgMn6O4F8
_chemical_formula_sum "Mg1 Mn6 O4 F8"
_cell_length_a 5.30340774
_cell_length_b 8.03750096
_cell_length_c 5.67783079
_cell_angle_alpha 91.17807209
_cell_angle_beta 95.38871773
_cell_angle_gamma 84.53706938
_space_group_nam... |
MoveSelectedAtomsAction | 43078ef0-7ace-41d3-8015-036d67fb586f | mp-1179727 | Move atoms at indices [23, 34, 73, 64, 57, 10, 40, 3, 56, 47, 12, 35, 75, 0, 26, 51, 78, 9, 50, 49, 15, 36, 28, 66, 71, 45, 81, 13, 5, 31, 68, 6, 79] by [ 0.163 -0.252 1.304] angstrom in the cif file. | data_image0
_chemical_formula_structural Rh12S12Cl60
_chemical_formula_sum "Rh12 S12 Cl60"
_cell_length_a 13.90672218
_cell_length_b 13.906722179999997
_cell_length_c 27.499011849999995
_cell_angle_alpha 61.931675529999985
_cell_angle_beta 61.93167552999999
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Rh12S12Cl60
_chemical_formula_sum "Rh12 S12 Cl60"
_cell_length_a 13.90672218
_cell_length_b 13.906722179999997
_cell_length_c 27.499011849999995
_cell_angle_alpha 61.931675529999985
_cell_angle_beta 61.93167552999999
_cell_angle_gamma ... |
MoveSelectedAtomsAction | b971ff74-dbe3-493c-93a8-6d3e0293740f | mp-1215706 | Move atoms at indices [8, 6, 10, 7, 11, 5, 2, 0, 9, 4, 3] by [-1.021 -0.624 -1.517] angstrom in the cif file. | data_image0
_chemical_formula_structural ZnCuW2O8
_chemical_formula_sum "Zn1 Cu1 W2 O8"
_cell_length_a 4.745246
_cell_length_b 5.01087319
_cell_length_c 5.88285058
_cell_angle_alpha 88.3537652
_cell_angle_beta 86.01154898000001
_cell_angle_gamma 87.1501431
_space_group_na... | data_image0
_chemical_formula_structural ZnCuW2O8
_chemical_formula_sum "Zn1 Cu1 W2 O8"
_cell_length_a 4.745246
_cell_length_b 5.01087319
_cell_length_c 5.88285058
_cell_angle_alpha 88.3537652
_cell_angle_beta 86.01154898000001
_cell_angle_gamma 87.1501431
_space_group_na... |
MoveSelectedAtomsAction | 423d13a0-d101-4010-b836-bef453fd296a | mp-771831 | Move atoms at indices [16, 6, 28, 19, 11, 35, 1, 20, 15, 9, 12, 27, 34, 23, 7, 18, 0, 31, 26, 3, 2, 32, 4, 39, 29, 24, 17, 30, 14, 38, 13, 33, 22, 37, 36, 25, 10, 8, 21, 5] by [ 0.202 -0.621 3.721] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr8La4Cl28
_chemical_formula_sum "Sr8 La4 Cl28"
_cell_length_a 13.353074
_cell_length_b 7.20691
_cell_length_c 12.51469174
_cell_angle_alpha 88.74568879999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sr8La4Cl28
_chemical_formula_sum "Sr8 La4 Cl28"
_cell_length_a 13.353074
_cell_length_b 7.20691
_cell_length_c 12.51469174
_cell_angle_alpha 88.74568879999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 24e44110-4801-4f20-9fd9-0a26d8aca3e7 | mp-1233037 | Move atoms at indices [7, 1, 8, 0, 3, 10, 4, 11, 12, 17, 6, 9] by [ 1.803 -1.997 0.123] angstrom in the cif file. | data_image0
_chemical_formula_structural CaTb4Al2Fe2O12
_chemical_formula_sum "Ca1 Tb4 Al2 Fe2 O12"
_cell_length_a 6.14280864
_cell_length_b 6.25456642
_cell_length_c 7.08114982
_cell_angle_alpha 89.64869534
_cell_angle_beta 85.5275652
_cell_angle_gamma 91.98623958
_space... | data_image0
_chemical_formula_structural CaTb4Al2Fe2O12
_chemical_formula_sum "Ca1 Tb4 Al2 Fe2 O12"
_cell_length_a 6.14280864
_cell_length_b 6.25456642
_cell_length_c 7.08114982
_cell_angle_alpha 89.64869534
_cell_angle_beta 85.5275652
_cell_angle_gamma 91.98623958
_space... |
MoveSelectedAtomsAction | 361e6517-acbe-4cba-be62-f34d89fe4545 | mp-558219 | Move atoms at indices [14] by [ 0.378 -1.094 -1.042] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2Li2B6S12
_chemical_formula_sum "Sr2 Li2 B6 S12"
_cell_length_a 8.73321635
_cell_length_b 8.73321635
_cell_length_c 8.07059009
_cell_angle_alpha 66.73283703
_cell_angle_beta 66.73283703
_cell_angle_gamma 60.35373061
_space_group_... | data_image0
_chemical_formula_structural Sr2Li2B6S12
_chemical_formula_sum "Sr2 Li2 B6 S12"
_cell_length_a 8.73321635
_cell_length_b 8.73321635
_cell_length_c 8.07059009
_cell_angle_alpha 66.73283703
_cell_angle_beta 66.73283703
_cell_angle_gamma 60.35373061
_space_group_... |
MoveSelectedAtomsAction | 48c5d8a4-a4a4-4633-8a4c-1f12fe27e5f6 | mp-1173973 | Move atoms at indices [11, 14, 2, 3, 10, 13, 6, 8, 12, 5, 9, 15, 0, 7] by [ 0.058 -0.467 2.564] angstrom in the cif file. | data_image0
_chemical_formula_structural Li5Mn2CoO8
_chemical_formula_sum "Li5 Mn2 Co1 O8"
_cell_length_a 5.13395128
_cell_length_b 5.8712364699999995
_cell_length_c 5.87250821
_cell_angle_alpha 58.22240621999999
_cell_angle_beta 71.15339071
_cell_angle_gamma 71.1431964
_... | data_image0
_chemical_formula_structural Li5Mn2CoO8
_chemical_formula_sum "Li5 Mn2 Co1 O8"
_cell_length_a 5.13395128
_cell_length_b 5.8712364699999995
_cell_length_c 5.87250821
_cell_angle_alpha 58.22240621999999
_cell_angle_beta 71.15339071
_cell_angle_gamma 71.1431964
_... |
MoveSelectedAtomsAction | 7c433bb0-6e56-4c06-a954-d28ec8b7cb12 | mp-1049235 | Move atoms at indices [1, 9, 13, 3, 14, 0, 6, 15, 4, 10, 12, 2, 19, 18] by [1.51 2.483 2.076] angstrom in the cif file. | data_image0
_chemical_formula_structural La2Ta2Zn2Cr2O12
_chemical_formula_sum "La2 Ta2 Zn2 Cr2 O12"
_cell_length_a 5.725048
_cell_length_b 5.422845
_cell_length_c 10.00285536
_cell_angle_alpha 58.01628817999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural La2Ta2Zn2Cr2O12
_chemical_formula_sum "La2 Ta2 Zn2 Cr2 O12"
_cell_length_a 5.725048
_cell_length_b 5.422845
_cell_length_c 10.00285536
_cell_angle_alpha 58.01628817999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
MoveSelectedAtomsAction | d73de8fd-3a27-4b4f-871a-405815c71ed1 | mp-572465 | Move atoms at indices [22, 30, 19, 6, 33, 14, 17, 32, 24, 39, 27, 5, 18, 26, 31, 25, 38, 13, 28, 3, 9, 7, 21, 37, 20, 0, 12, 23, 35, 29, 36] by [-1.302 -2.029 0.378] 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 | 54b7c56b-da47-44ea-9966-7414ad8ba3a4 | mp-1188256 | Move atoms at indices [4, 17, 0, 14, 12] by [-0.541 3.433 3.323] angstrom in the cif file. | data_image0
_chemical_formula_structural U4Ni4Se12
_chemical_formula_sum "U4 Ni4 Se12"
_cell_length_a 6.255074
_cell_length_b 7.38731
_cell_length_c 8.8402
_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 U4Ni4Se12
_chemical_formula_sum "U4 Ni4 Se12"
_cell_length_a 6.255074
_cell_length_b 7.38731
_cell_length_c 8.8402
_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 | 73f7c740-24e5-4de7-9be2-b2848a10ba79 | mp-1201935 | Move atoms at indices [42, 31, 27, 46, 19, 55, 34, 14, 2, 38, 36, 11, 39, 56, 29, 13, 35, 59, 24, 25, 20, 32, 1, 9, 15, 6, 50, 53, 54, 10, 8, 33, 18, 57, 51, 22, 21, 5, 12, 4, 37, 44, 49, 30, 26, 3, 52, 47, 23] by [-2.28 0.463 -0.437] angstrom in the cif file. | data_image0
_chemical_formula_structural K8P8H16O28
_chemical_formula_sum "K8 P8 H16 O28"
_cell_length_a 7.836889
_cell_length_b 10.18344283
_cell_length_c 10.37658468
_cell_angle_alpha 93.40981959000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural K8P8H16O28
_chemical_formula_sum "K8 P8 H16 O28"
_cell_length_a 7.836889
_cell_length_b 10.18344283
_cell_length_c 10.37658468
_cell_angle_alpha 93.40981959000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
MoveSelectedAtomsAction | 7dfdc464-9188-412c-b1ee-fbccc70df9a3 | mp-8762 | Move atoms at indices [0, 5, 7, 16, 6, 2, 8, 14, 13, 1, 12, 17, 9, 3] by [-2.731 0.252 -3.821] angstrom in the cif file. | data_image0
_chemical_formula_structural Er8S8O4
_chemical_formula_sum "Er8 S8 O4"
_cell_length_a 6.79738802
_cell_length_b 6.78756073
_cell_length_c 8.18333571
_cell_angle_alpha 80.45408257
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Er8S8O4
_chemical_formula_sum "Er8 S8 O4"
_cell_length_a 6.79738802
_cell_length_b 6.78756073
_cell_length_c 8.18333571
_cell_angle_alpha 80.45408257
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveSelectedAtomsAction | faa4e1c1-d45c-40b6-a776-d3ba5b1bbe19 | mp-1195020 | Move atoms at indices [8, 25, 29, 15, 33, 19, 39, 32, 7, 1, 21, 6, 9, 2, 4, 11] by [-1.978 -3.34 0.521] angstrom in the cif file. | data_image0
_chemical_formula_structural Pr4Tl4P8Se24
_chemical_formula_sum "Pr4 Tl4 P8 Se24"
_cell_length_a 7.832904
_cell_length_b 12.042155
_cell_length_c 12.536434
_cell_angle_alpha 70.55859086
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Pr4Tl4P8Se24
_chemical_formula_sum "Pr4 Tl4 P8 Se24"
_cell_length_a 7.832904
_cell_length_b 12.042155
_cell_length_c 12.536434
_cell_angle_alpha 70.55859086
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 1c8806c9-af9f-4f03-b303-6db723b7a87a | mp-756349 | Move atoms at indices [22, 20, 10, 7, 3, 4, 17, 13, 21, 23, 12, 16, 5, 11, 9, 1, 15, 18, 8, 19, 6, 0] by [-1.793 -0.485 -2.058] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn3CuP4O16
_chemical_formula_sum "Mn3 Cu1 P4 O16"
_cell_length_a 6.009187
_cell_length_b 4.904914
_cell_length_c 9.82965348
_cell_angle_alpha 89.21079258
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Mn3CuP4O16
_chemical_formula_sum "Mn3 Cu1 P4 O16"
_cell_length_a 6.009187
_cell_length_b 4.904914
_cell_length_c 9.82965348
_cell_angle_alpha 89.21079258
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveSelectedAtomsAction | c4896168-b7bd-4b95-b1b1-ccb0bf810787 | mp-1328951 | Move atoms at indices [41, 25, 22, 20, 33, 30, 32, 21, 29, 17, 37, 45, 8, 10, 40, 6, 46, 14, 2, 18, 15, 19, 23, 12, 5, 44, 4, 26] by [-3.279 0.599 0.296] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta8Mn4Zn4O32
_chemical_formula_sum "Ta8 Mn4 Zn4 O32"
_cell_length_a 5.0959081
_cell_length_b 5.74841374
_cell_length_c 19.66740339
_cell_angle_alpha 90.00850828
_cell_angle_beta 83.7842863
_cell_angle_gamma 90.00567482000001
_space... | data_image0
_chemical_formula_structural Ta8Mn4Zn4O32
_chemical_formula_sum "Ta8 Mn4 Zn4 O32"
_cell_length_a 5.0959081
_cell_length_b 5.74841374
_cell_length_c 19.66740339
_cell_angle_alpha 90.00850828
_cell_angle_beta 83.7842863
_cell_angle_gamma 90.00567482000001
_space... |
MoveSelectedAtomsAction | 4cc14c7e-309a-405d-9276-e3d3bffce7db | mp-1245786 | Move atoms at indices [10, 6, 24, 21, 1, 31, 27, 23, 5, 9, 18, 19, 7, 16, 11, 3, 22, 32, 12, 4, 30, 0, 29, 33, 28] by [ 1.989 -2.65 -1.93 ] angstrom in the cif file. | data_image0
_chemical_formula_structural In12Ga8N16
_chemical_formula_sum "In12 Ga8 N16"
_cell_length_a 6.338033
_cell_length_b 10.699933
_cell_length_c 8.523877
_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 In12Ga8N16
_chemical_formula_sum "In12 Ga8 N16"
_cell_length_a 6.338033
_cell_length_b 10.699933
_cell_length_c 8.523877
_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 | dfb6e35f-30c7-4dd5-804a-3d8ec19ec297 | mp-753939 | Move atoms at indices [12, 11, 4, 19, 2, 3, 25, 18, 10, 0, 22, 6, 1, 16, 20, 13, 7, 21, 9, 24, 15, 26, 23, 8] by [-1.108 3.712 -4.205] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Sn4P4O16
_chemical_formula_sum "Li4 Sn4 P4 O16"
_cell_length_a 4.868779
_cell_length_b 7.169465
_cell_length_c 10.870271
_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 Li4Sn4P4O16
_chemical_formula_sum "Li4 Sn4 P4 O16"
_cell_length_a 4.868779
_cell_length_b 7.169465
_cell_length_c 10.870271
_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 | 9514635c-b79d-45c2-a54d-1c18770f7174 | mp-752419 | Move atoms at indices [13, 14, 20, 15, 8, 23, 19, 16, 0, 7, 10, 11, 18, 22, 2, 21, 9, 4, 17, 3, 5, 12, 6, 1] by [-0.445 -0.324 -1.962] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr4Ca4I16
_chemical_formula_sum "Sr4 Ca4 I16"
_cell_length_a 10.902408
_cell_length_b 9.831828
_cell_length_c 11.36168132
_cell_angle_alpha 56.41853334
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Sr4Ca4I16
_chemical_formula_sum "Sr4 Ca4 I16"
_cell_length_a 10.902408
_cell_length_b 9.831828
_cell_length_c 11.36168132
_cell_angle_alpha 56.41853334
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveSelectedAtomsAction | 3305e0d6-b01b-4001-bd02-a840ded7d8f4 | mp-1026593 | Move atoms at indices [13, 2, 5, 12, 11, 1, 8, 6, 4, 0, 10, 9, 15, 7, 14, 3] by [-0.207 3.026 -0.556] angstrom in the cif file. | data_image0
_chemical_formula_structural CsMg14W
_chemical_formula_sum "Cs1 Mg14 W1"
_cell_length_a 6.45874453
_cell_length_b 6.458744000000001
_cell_length_c 10.66315161
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000273999999
_space_group_name_H... | data_image0
_chemical_formula_structural CsMg14W
_chemical_formula_sum "Cs1 Mg14 W1"
_cell_length_a 6.45874453
_cell_length_b 6.458744000000001
_cell_length_c 10.66315161
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000273999999
_space_group_name_H... |
MoveSelectedAtomsAction | 88805245-9523-4335-986d-9eadf1eac135 | mp-2753 | Move atoms at indices [22, 23, 9, 1, 12, 2, 5, 16, 27, 20, 24, 8, 11, 25, 4, 17, 18, 6, 3, 0, 19, 21, 10, 7, 15, 14] by [ 0.505 -2.581 0.179] angstrom in the cif file. | data_image0
_chemical_formula_structural Tl16S12
_chemical_formula_sum "Tl16 S12"
_cell_length_a 7.94340004
_cell_length_b 8.0359841
_cell_length_c 13.09186851
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 103.42541076000002
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Tl16S12
_chemical_formula_sum "Tl16 S12"
_cell_length_a 7.94340004
_cell_length_b 8.0359841
_cell_length_c 13.09186851
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 103.42541076000002
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | 2cd32c2c-04f9-4ab0-b1d0-5d874e6646d5 | mp-1201334 | Move atoms at indices [11, 38, 20, 23] by [-1.115 0.582 -1.749] angstrom in the cif file. | data_image0
_chemical_formula_structural NiH20PdC4N4O12
_chemical_formula_sum "Ni1 H20 Pd1 C4 N4 O12"
_cell_length_a 7.190677
_cell_length_b 7.451019
_cell_length_c 9.12756315
_cell_angle_alpha 65.91067253
_cell_angle_beta 66.80266797
_cell_angle_gamma 90.0
_space_group_n... | data_image0
_chemical_formula_structural NiH20PdC4N4O12
_chemical_formula_sum "Ni1 H20 Pd1 C4 N4 O12"
_cell_length_a 7.190677
_cell_length_b 7.451019
_cell_length_c 9.12756315
_cell_angle_alpha 65.91067253
_cell_angle_beta 66.80266797
_cell_angle_gamma 90.0
_space_group_n... |
MoveSelectedAtomsAction | 9ee682da-f8a6-4fb5-98a2-9622580161b3 | mp-1246366 | Move atoms at indices [6, 1, 12, 7, 0, 11, 2] by [ 2.116 -0.107 0.144] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr2Cr2Ag2S8
_chemical_formula_sum "Zr2 Cr2 Ag2 S8"
_cell_length_a 7.14491313
_cell_length_b 6.122022969999999
_cell_length_c 6.56542107
_cell_angle_alpha 92.21634455
_cell_angle_beta 89.99909616
_cell_angle_gamma 90.00027732999999
... | data_image0
_chemical_formula_structural Zr2Cr2Ag2S8
_chemical_formula_sum "Zr2 Cr2 Ag2 S8"
_cell_length_a 7.14491313
_cell_length_b 6.122022969999999
_cell_length_c 6.56542107
_cell_angle_alpha 92.21634455
_cell_angle_beta 89.99909616
_cell_angle_gamma 90.00027732999999
... |
MoveSelectedAtomsAction | 0cb42d38-5019-4f05-949f-daf19ddf1b04 | mp-756744 | Move atoms at indices [20, 2, 14, 6, 7, 35, 19, 22, 27, 12, 30, 32, 33, 31, 16, 5, 8, 13, 11] by [2.224 3.536 2.827] angstrom in the cif file. | data_image0
_chemical_formula_structural Li6Co6B6O18
_chemical_formula_sum "Li6 Co6 B6 O18"
_cell_length_a 3.08925308
_cell_length_b 8.152493599999998
_cell_length_c 14.140741810000002
_cell_angle_alpha 89.99996666
_cell_angle_beta 90.08398567
_cell_angle_gamma 90.04659107... | data_image0
_chemical_formula_structural Li6Co6B6O18
_chemical_formula_sum "Li6 Co6 B6 O18"
_cell_length_a 3.08925308
_cell_length_b 8.152493599999998
_cell_length_c 14.140741810000002
_cell_angle_alpha 89.99996666
_cell_angle_beta 90.08398567
_cell_angle_gamma 90.04659107... |
MoveSelectedAtomsAction | 8aa29688-b125-4fba-919f-2f4f91d096c3 | mp-1233814 | Move atoms at indices [15, 26, 23, 2, 27, 9, 31, 16, 21, 24, 18, 12, 28, 30, 14, 4, 6, 19, 11, 13, 10, 22, 5, 7, 29, 32, 3, 25] by [-0.887 1.093 0.257] angstrom in the cif file. | data_image0
_chemical_formula_structural MgCr8P4O20
_chemical_formula_sum "Mg1 Cr8 P4 O20"
_cell_length_a 7.93919664
_cell_length_b 6.62347725
_cell_length_c 7.59254375
_cell_angle_alpha 90.0
_cell_angle_beta 90.64773219
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural MgCr8P4O20
_chemical_formula_sum "Mg1 Cr8 P4 O20"
_cell_length_a 7.93919664
_cell_length_b 6.62347725
_cell_length_c 7.59254375
_cell_angle_alpha 90.0
_cell_angle_beta 90.64773219
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 80685ae3-bc81-49fd-b19e-8fd2e4a9f2ec | mp-6955 | Move atoms at indices [7, 14] by [ 1.396 -0.876 -0.664] angstrom in the cif file. | data_image0
_chemical_formula_structural K4Ge4N4O4
_chemical_formula_sum "K4 Ge4 N4 O4"
_cell_length_a 5.291175
_cell_length_b 5.81047
_cell_length_c 8.19225
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural K4Ge4N4O4
_chemical_formula_sum "K4 Ge4 N4 O4"
_cell_length_a 5.291175
_cell_length_b 5.81047
_cell_length_c 8.19225
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... |
MoveSelectedAtomsAction | 965cc08e-6a4b-4f77-8de1-c24bc88fd9cb | mp-1046251 | Move atoms at indices [10] by [-2.211 -2.437 4.616] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta4Zn4W2O16
_chemical_formula_sum "Ta4 Zn4 W2 O16"
_cell_length_a 5.344397
_cell_length_b 5.98332699
_cell_length_c 10.2602083
_cell_angle_alpha 105.03537055
_cell_angle_beta 90.73260924999998
_cell_angle_gamma 91.18839774
_space_g... | data_image0
_chemical_formula_structural Ta4Zn4W2O16
_chemical_formula_sum "Ta4 Zn4 W2 O16"
_cell_length_a 5.344397
_cell_length_b 5.98332699
_cell_length_c 10.2602083
_cell_angle_alpha 105.03537055
_cell_angle_beta 90.73260924999998
_cell_angle_gamma 91.18839774
_space_g... |
MoveSelectedAtomsAction | d1a92428-ebc2-40b5-86e4-2e0f8fcb5f03 | mp-1229067 | Move atoms at indices [57, 44, 21, 50, 16, 20, 43, 45, 12, 56, 61, 14, 29, 6, 22, 55, 8] by [-1.489 2.123 1.433] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba10Y5Cu15O32
_chemical_formula_sum "Ba10 Y5 Cu15 O32"
_cell_length_a 5.517439
_cell_length_b 13.252585109999998
_cell_length_c 14.017815380000002
_cell_angle_alpha 114.07744676
_cell_angle_beta 100.45847076
_cell_angle_gamma 90.372... | data_image0
_chemical_formula_structural Ba10Y5Cu15O32
_chemical_formula_sum "Ba10 Y5 Cu15 O32"
_cell_length_a 5.517439
_cell_length_b 13.252585109999998
_cell_length_c 14.017815380000002
_cell_angle_alpha 114.07744676
_cell_angle_beta 100.45847076
_cell_angle_gamma 90.372... |
MoveSelectedAtomsAction | 0200cf85-3442-49c7-adf1-1bba298a567e | mp-1275723 | Move atoms at indices [3, 14, 16, 15, 11, 7, 5, 22, 8, 25, 19, 1] by [-0.273 -1.257 0.767] angstrom in the cif file. | data_image0
_chemical_formula_structural Li6Mn2Co6O16
_chemical_formula_sum "Li6 Mn2 Co6 O16"
_cell_length_a 5.83741423
_cell_length_b 10.38384092
_cell_length_c 5.83229939
_cell_angle_alpha 90.40334955
_cell_angle_beta 61.76185674
_cell_angle_gamma 107.79446285
_space_gr... | data_image0
_chemical_formula_structural Li6Mn2Co6O16
_chemical_formula_sum "Li6 Mn2 Co6 O16"
_cell_length_a 5.83741423
_cell_length_b 10.38384092
_cell_length_c 5.83229939
_cell_angle_alpha 90.40334955
_cell_angle_beta 61.76185674
_cell_angle_gamma 107.79446285
_space_gr... |
MoveSelectedAtomsAction | a062bd6a-10d6-4dcb-afea-4313d996e5de | mp-1245067 | Move atoms at indices [7, 67, 82, 37, 65, 25, 95, 24, 19, 76, 48, 40, 31, 49, 51, 43, 97, 84, 50, 83, 52, 32, 74, 91, 72, 86, 70, 9, 27, 10, 1, 41, 85, 35, 90, 6, 59, 29, 63, 93, 69, 3, 44, 77, 33, 87, 26, 78, 71, 46, 98, 53, 30, 56, 13, 8, 17, 12, 4, 61, 58, 55, 79, 96, 64, 39, 34, 38, 80, 60, 14, 16, 68, 15, 20, 75, ... | data_image0
_chemical_formula_structural Al100
_chemical_formula_sum "Al100"
_cell_length_a 11.98330792
_cell_length_b 12.33519817
_cell_length_c 12.27492286
_cell_angle_alpha 92.56703388000001
_cell_angle_beta 82.72866873
_cell_angle_gamma 85.67109359
_space_group_name_H... | data_image0
_chemical_formula_structural Al100
_chemical_formula_sum "Al100"
_cell_length_a 11.98330792
_cell_length_b 12.33519817
_cell_length_c 12.27492286
_cell_angle_alpha 92.56703388000001
_cell_angle_beta 82.72866873
_cell_angle_gamma 85.67109359
_space_group_name_H... |
MoveSelectedAtomsAction | a10f8524-27e0-4057-987a-28814f7c875c | mp-1196375 | Move atoms at indices [33, 29, 16, 1, 18, 12, 45] by [ 1.432 -1.121 -1.207] angstrom in the cif file. | data_image0
_chemical_formula_structural Gd2Cd40Ni4
_chemical_formula_sum "Gd2 Cd40 Ni4"
_cell_length_a 11.16102435
_cell_length_b 11.16102435
_cell_length_c 11.16102435
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Gd2Cd40Ni4
_chemical_formula_sum "Gd2 Cd40 Ni4"
_cell_length_a 11.16102435
_cell_length_b 11.16102435
_cell_length_c 11.16102435
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... |
MoveSelectedAtomsAction | 36756aa7-9ec8-41bc-aa40-b9808498c244 | mp-754190 | Move atoms at indices [15, 10, 9, 11, 7, 3, 19, 22, 0, 2, 6, 12, 8, 4] by [0.421 0.625 0.232] angstrom in the cif file. | data_image0
_chemical_formula_structural VSb3P4O16
_chemical_formula_sum "V1 Sb3 P4 O16"
_cell_length_a 4.89385151
_cell_length_b 10.1710212
_cell_length_c 6.85555853
_cell_angle_alpha 89.95998115
_cell_angle_beta 90.15569799
_cell_angle_gamma 94.51696624
_space_group_nam... | data_image0
_chemical_formula_structural VSb3P4O16
_chemical_formula_sum "V1 Sb3 P4 O16"
_cell_length_a 4.89385151
_cell_length_b 10.1710212
_cell_length_c 6.85555853
_cell_angle_alpha 89.95998115
_cell_angle_beta 90.15569799
_cell_angle_gamma 94.51696624
_space_group_nam... |
MoveSelectedAtomsAction | e8e448ae-b8a9-4cd9-9dea-727388651168 | mp-1223453 | Move atoms at indices [9, 3, 1] by [-1.605 -0.269 -1.878] angstrom in the cif file. | data_image0
_chemical_formula_structural La2Ga5Au3
_chemical_formula_sum "La2 Ga5 Au3"
_cell_length_a 4.479646
_cell_length_b 4.479646
_cell_length_c 10.965007
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural La2Ga5Au3
_chemical_formula_sum "La2 Ga5 Au3"
_cell_length_a 4.479646
_cell_length_b 4.479646
_cell_length_c 10.965007
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... |
MoveSelectedAtomsAction | e4ec93cf-260b-4c3c-a211-a40ceb21614b | mp-624221 | Move atoms at indices [12, 13, 8, 15, 1, 14, 5, 9] by [2.228 1.375 1.298] angstrom in the cif file. | data_image0
_chemical_formula_structural Ge6Rh10
_chemical_formula_sum "Ge6 Rh10"
_cell_length_a 3.94900962
_cell_length_b 5.48650678
_cell_length_c 10.49249257
_cell_angle_alpha 90.00030664
_cell_angle_beta 90.0
_cell_angle_gamma 89.99993892999998
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Ge6Rh10
_chemical_formula_sum "Ge6 Rh10"
_cell_length_a 3.94900962
_cell_length_b 5.48650678
_cell_length_c 10.49249257
_cell_angle_alpha 90.00030664
_cell_angle_beta 90.0
_cell_angle_gamma 89.99993892999998
_space_group_name_H-M_a... |
MoveSelectedAtomsAction | f739cf53-da06-41cf-9f53-3e38f1895087 | mp-1075928 | Move atoms at indices [13, 26, 34, 39, 18, 1, 7, 10, 5, 0, 15, 9, 37, 4, 19, 16, 31, 38, 14] by [ 1.685 -2.173 -0.72 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr4Ca4Co8O24
_chemical_formula_sum "Sr4 Ca4 Co8 O24"
_cell_length_a 7.659349
_cell_length_b 7.659349
_cell_length_c 7.657479
_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 Sr4Ca4Co8O24
_chemical_formula_sum "Sr4 Ca4 Co8 O24"
_cell_length_a 7.659349
_cell_length_b 7.659349
_cell_length_c 7.657479
_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 | c85d3901-117b-48d3-beee-e3e7da34c3ca | mp-1518745 | Move atoms at indices [5, 6, 4, 8, 7, 0, 3, 2, 1] by [ 0.194 -2.805 2.789] angstrom in the cif file. | data_image0
_chemical_formula_structural SrEuFeBiO6
_chemical_formula_sum "Sr1 Eu1 Fe1 Bi1 O6"
_cell_length_a 5.82557674
_cell_length_b 5.82557674
_cell_length_c 5.82557674
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural SrEuFeBiO6
_chemical_formula_sum "Sr1 Eu1 Fe1 Bi1 O6"
_cell_length_a 5.82557674
_cell_length_b 5.82557674
_cell_length_c 5.82557674
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... |
MoveSelectedAtomsAction | e8f8b3fa-66fd-413c-9c37-871134875bd1 | mp-2230833 | Move atoms at indices [2, 4, 0] by [ 0.076 -2.247 3.089] angstrom in the cif file. | data_image0
_chemical_formula_structural MgMnV4NiO12
_chemical_formula_sum "Mg1 Mn1 V4 Ni1 O12"
_cell_length_a 6.93014376
_cell_length_b 7.09159222
_cell_length_c 5.69975092
_cell_angle_alpha 73.78197267
_cell_angle_beta 109.36028362
_cell_angle_gamma 100.90286369
_space_... | data_image0
_chemical_formula_structural MgMnV4NiO12
_chemical_formula_sum "Mg1 Mn1 V4 Ni1 O12"
_cell_length_a 6.93014376
_cell_length_b 7.09159222
_cell_length_c 5.69975092
_cell_angle_alpha 73.78197267
_cell_angle_beta 109.36028362
_cell_angle_gamma 100.90286369
_space_... |
MoveSelectedAtomsAction | 3604c000-161c-46bd-b474-ba107e7281fe | mp-558681 | Move atoms at indices [11, 21, 35, 36, 20, 18, 37, 22, 32, 27, 26, 3, 30, 10, 24, 5, 17, 7, 31, 25, 12, 15, 2, 38, 14, 9, 6, 1, 8, 33, 29, 16] by [ 0.224 0.328 -0.762] angstrom in the cif file. | data_image0
_chemical_formula_structural P8Cl8O8F16
_chemical_formula_sum "P8 Cl8 O8 F16"
_cell_length_a 5.55295745
_cell_length_b 9.90794988
_cell_length_c 13.09894283
_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 P8Cl8O8F16
_chemical_formula_sum "P8 Cl8 O8 F16"
_cell_length_a 5.55295745
_cell_length_b 9.90794988
_cell_length_c 13.09894283
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveSelectedAtomsAction | d77e43bb-af15-4b13-bf42-d7eda4051821 | mp-1214888 | Move atoms at indices [1, 19, 23, 16, 18, 20, 14, 0, 13, 2, 12, 8, 10, 5, 11, 9, 25, 24, 27, 6, 3] by [-4.133 -1.251 -1.278] angstrom in the cif file. | data_image0
_chemical_formula_structural AlZn2SbH12O12
_chemical_formula_sum "Al1 Zn2 Sb1 H12 O12"
_cell_length_a 5.4549923
_cell_length_b 5.4549923
_cell_length_c 9.901306
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000367999999
_space_group_name... | data_image0
_chemical_formula_structural AlZn2SbH12O12
_chemical_formula_sum "Al1 Zn2 Sb1 H12 O12"
_cell_length_a 5.4549923
_cell_length_b 5.4549923
_cell_length_c 9.901306
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000367999999
_space_group_name... |
MoveSelectedAtomsAction | c072763a-cc63-428c-88b8-57ca9da7dbcd | mp-757167 | Move atoms at indices [16, 15, 42, 13, 11, 44, 33, 6, 47, 34, 38, 10, 46, 28, 31, 26, 2, 39, 21, 32, 35, 4, 17, 5, 23, 36, 9, 19, 24, 41, 12, 22, 1, 27, 7, 18, 29, 37, 14, 45, 40, 30] by [-0.487 -4.607 0.6 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Si6Ni6O24
_chemical_formula_sum "Li12 Si6 Ni6 O24"
_cell_length_a 5.01778106
_cell_length_b 8.691764240000001
_cell_length_c 12.53414011
_cell_angle_alpha 110.25805743
_cell_angle_beta 101.56827368999998
_cell_angle_gamma 89.993... | data_image0
_chemical_formula_structural Li12Si6Ni6O24
_chemical_formula_sum "Li12 Si6 Ni6 O24"
_cell_length_a 5.01778106
_cell_length_b 8.691764240000001
_cell_length_c 12.53414011
_cell_angle_alpha 110.25805743
_cell_angle_beta 101.56827368999998
_cell_angle_gamma 89.993... |
MoveSelectedAtomsAction | b4973d32-b907-420f-ba0c-c40cb6579e62 | mp-1037899 | Move atoms at indices [47, 7, 16, 43, 40, 57, 15, 24, 28, 52, 48, 59, 35, 60, 14, 58, 18, 50, 26, 55, 30, 12] by [-1.834 2.24 -3.782] angstrom in the cif file. | data_image0
_chemical_formula_structural CaMg30NbO32
_chemical_formula_sum "Ca1 Mg30 Nb1 O32"
_cell_length_a 8.5899102
_cell_length_b 8.59776736
_cell_length_c 8.59776736
_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 CaMg30NbO32
_chemical_formula_sum "Ca1 Mg30 Nb1 O32"
_cell_length_a 8.5899102
_cell_length_b 8.59776736
_cell_length_c 8.59776736
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
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