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 | 69eceb88-18e6-4b32-a05d-065c84a9afb2 | mp-1197733 | Move atoms at indices [21, 1, 40, 30, 27, 6, 5, 39, 14, 38, 15, 44, 19, 24, 43] by [-0.897 0.813 -2.453] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4S8O36
_chemical_formula_sum "Mg4 S8 O36"
_cell_length_a 6.761775
_cell_length_b 8.274607
_cell_length_c 12.573329
_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 Mg4S8O36
_chemical_formula_sum "Mg4 S8 O36"
_cell_length_a 6.761775
_cell_length_b 8.274607
_cell_length_c 12.573329
_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 | f668bc3d-cb00-4c19-91da-0c5d32d3f176 | mp-736227 | Move atoms at indices [0, 4, 2, 6, 17, 9, 21, 5, 29, 19, 30, 27, 14, 23, 16, 22, 25, 1, 3, 15, 11, 28] by [ 2.668 -2.325 1.286] angstrom in the cif file. | data_image0
_chemical_formula_structural C16N16
_chemical_formula_sum "C16 N16"
_cell_length_a 4.429825
_cell_length_b 9.562066
_cell_length_c 18.58444721
_cell_angle_alpha 75.86542616
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural C16N16
_chemical_formula_sum "C16 N16"
_cell_length_a 4.429825
_cell_length_b 9.562066
_cell_length_c 18.58444721
_cell_angle_alpha 75.86542616
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
MoveSelectedAtomsAction | 6100d3f9-a15e-409a-bdeb-ecc7aab2c489 | mp-1049235 | Move atoms at indices [4, 5, 14, 19, 11, 15, 13, 7, 12, 0, 18, 9, 17, 10, 16, 3, 6, 8, 1, 2] by [-1.317 1.954 -1.639] 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 | 16bbd20f-a3d5-4c30-ac93-0a9c56bc3104 | mp-1177049 | Move atoms at indices [10, 4, 5, 24, 21, 6, 8, 38] by [ 4.03 -0.429 2.882] angstrom in the cif file. | data_image0
_chemical_formula_structural Li6Co3NiP6O24
_chemical_formula_sum "Li6 Co3 Ni1 P6 O24"
_cell_length_a 8.412915
_cell_length_b 8.47702918
_cell_length_c 8.50538614
_cell_angle_alpha 62.45319165
_cell_angle_beta 62.58654536
_cell_angle_gamma 62.80725303
_space_gr... | data_image0
_chemical_formula_structural Li6Co3NiP6O24
_chemical_formula_sum "Li6 Co3 Ni1 P6 O24"
_cell_length_a 8.412915
_cell_length_b 8.47702918
_cell_length_c 8.50538614
_cell_angle_alpha 62.45319165
_cell_angle_beta 62.58654536
_cell_angle_gamma 62.80725303
_space_gr... |
MoveSelectedAtomsAction | 19025fe0-4305-4754-973a-9b424e0c9770 | mp-2715503 | Move atoms at indices [53, 73, 14, 2, 69, 17, 12, 75, 28, 56, 11, 26, 19, 4, 31, 67, 0, 59, 22, 42, 68, 36, 16, 13, 48, 32, 29, 41, 45, 24, 52, 55, 34, 63, 39, 44, 1, 58, 43] by [-0.416 -1.171 3.026] angstrom in the cif file. | data_image0
_chemical_formula_structural Na12Sc4Si4Ge4P8O48
_chemical_formula_sum "Na12 Sc4 Si4 Ge4 P8 O48"
_cell_length_a 15.35080669
_cell_length_b 8.9254299
_cell_length_c 8.96443612
_cell_angle_alpha 90.0
_cell_angle_beta 125.57317330999999
_cell_angle_gamma 90.0
_spa... | data_image0
_chemical_formula_structural Na12Sc4Si4Ge4P8O48
_chemical_formula_sum "Na12 Sc4 Si4 Ge4 P8 O48"
_cell_length_a 15.35080669
_cell_length_b 8.9254299
_cell_length_c 8.96443612
_cell_angle_alpha 90.0
_cell_angle_beta 125.57317330999999
_cell_angle_gamma 90.0
_spa... |
MoveSelectedAtomsAction | 634cda99-83b2-4da2-a681-ecbf5fd52854 | mp-12885 | Move atoms at indices [1, 7, 10, 3, 5, 6, 0, 8, 9, 2, 4] by [-1.723 -2.877 2.75 ] angstrom in the cif file. | data_image0
_chemical_formula_structural BaAl2Sb2O7
_chemical_formula_sum "Ba1 Al2 Sb2 O7"
_cell_length_a 8.76911051
_cell_length_b 8.76911051
_cell_length_c 8.769110309999999
_cell_angle_alpha 36.630989769999985
_cell_angle_beta 36.63098976999998
_cell_angle_gamma 36.6309... | data_image0
_chemical_formula_structural BaAl2Sb2O7
_chemical_formula_sum "Ba1 Al2 Sb2 O7"
_cell_length_a 8.76911051
_cell_length_b 8.76911051
_cell_length_c 8.769110309999999
_cell_angle_alpha 36.630989769999985
_cell_angle_beta 36.63098976999998
_cell_angle_gamma 36.6309... |
MoveSelectedAtomsAction | fd91459a-1f07-4728-91ab-5a7cee85f0f1 | mp-540706 | Move atoms at indices [9, 15, 29] by [0.189 1.47 2.128] angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Nb8O22
_chemical_formula_sum "Na4 Nb8 O22"
_cell_length_a 12.94249259
_cell_length_b 12.94249259
_cell_length_c 12.94249272
_cell_angle_alpha 28.209280090000004
_cell_angle_beta 28.20928008999999
_cell_angle_gamma 28.20927979
_s... | data_image0
_chemical_formula_structural Na4Nb8O22
_chemical_formula_sum "Na4 Nb8 O22"
_cell_length_a 12.94249259
_cell_length_b 12.94249259
_cell_length_c 12.94249272
_cell_angle_alpha 28.209280090000004
_cell_angle_beta 28.20928008999999
_cell_angle_gamma 28.20927979
_s... |
MoveSelectedAtomsAction | 4dddd849-e3d5-4655-9d4a-f6b4223f47c8 | mp-1588 | Move atoms at indices [9, 19] by [-0.005 0.191 -1.314] angstrom in the cif file. | data_image0
_chemical_formula_structural C22F14
_chemical_formula_sum "C22 F14"
_cell_length_a 6.13417845
_cell_length_b 6.134178450000001
_cell_length_c 13.79451585
_cell_angle_alpha 85.79723518
_cell_angle_beta 85.79723518
_cell_angle_gamma 82.00049108
_space_group_name... | data_image0
_chemical_formula_structural C22F14
_chemical_formula_sum "C22 F14"
_cell_length_a 6.13417845
_cell_length_b 6.134178450000001
_cell_length_c 13.79451585
_cell_angle_alpha 85.79723518
_cell_angle_beta 85.79723518
_cell_angle_gamma 82.00049108
_space_group_name... |
MoveSelectedAtomsAction | b22ed256-f07d-404c-a229-33a367ec4f97 | mp-1219046 | Move atoms at indices [11, 6, 0, 9, 14, 4, 13, 7, 2, 12, 8, 1, 5, 10, 15] by [-2.481 -0.307 -2.867] angstrom in the cif file. | data_image0
_chemical_formula_structural Sn4Sb2S4I6
_chemical_formula_sum "Sn4 Sb2 S4 I6"
_cell_length_a 7.7761768
_cell_length_b 7.7761768
_cell_length_c 17.461303
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 147.68845972000003
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Sn4Sb2S4I6
_chemical_formula_sum "Sn4 Sb2 S4 I6"
_cell_length_a 7.7761768
_cell_length_b 7.7761768
_cell_length_c 17.461303
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 147.68845972000003
_space_group_name_H-M_alt... |
MoveSelectedAtomsAction | 91ef577c-9cbc-4040-9c02-66358f1d6f90 | mp-1177331 | Move atoms at indices [4, 10, 7, 6, 0, 1, 5, 11, 9, 2] by [ 2.201 0.164 -0.811] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4MnCrO6
_chemical_formula_sum "Li4 Mn1 Cr1 O6"
_cell_length_a 5.00452286
_cell_length_b 5.00451943
_cell_length_c 5.11410777
_cell_angle_alpha 99.90005629
_cell_angle_beta 99.8991431
_cell_angle_gamma 119.41151240999999
_space_gr... | data_image0
_chemical_formula_structural Li4MnCrO6
_chemical_formula_sum "Li4 Mn1 Cr1 O6"
_cell_length_a 5.00452286
_cell_length_b 5.00451943
_cell_length_c 5.11410777
_cell_angle_alpha 99.90005629
_cell_angle_beta 99.8991431
_cell_angle_gamma 119.41151240999999
_space_gr... |
MoveSelectedAtomsAction | 25103d6c-0250-423b-af7f-80deec13f734 | mp-1028157 | Move atoms at indices [11, 4, 15, 1, 12, 3, 9, 10, 14] by [-4.046 -1.087 -1.882] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14MnCu
_chemical_formula_sum "Mg14 Mn1 Cu1"
_cell_length_a 6.25919308
_cell_length_b 6.25859688
_cell_length_c 9.91951243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99685426
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Mg14MnCu
_chemical_formula_sum "Mg14 Mn1 Cu1"
_cell_length_a 6.25919308
_cell_length_b 6.25859688
_cell_length_c 9.91951243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99685426
_space_group_name_H-M_alt "P... |
MoveSelectedAtomsAction | f084e3cb-c583-47d1-ba96-6468f82ddde7 | mp-556659 | Move atoms at indices [23, 15, 31, 34, 48, 16, 8, 17, 27, 49, 20, 41, 7, 37, 40, 18, 12, 26, 51, 2, 50, 39, 14, 13, 11, 32, 46, 44, 1, 4, 19, 3, 25, 29, 45, 47, 36] by [ 0.83 -2.003 4.299] angstrom in the cif file. | data_image0
_chemical_formula_structural La12Ti4Cl20O16
_chemical_formula_sum "La12 Ti4 Cl20 O16"
_cell_length_a 4.082481
_cell_length_b 14.804852
_cell_length_c 16.954473
_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 La12Ti4Cl20O16
_chemical_formula_sum "La12 Ti4 Cl20 O16"
_cell_length_a 4.082481
_cell_length_b 14.804852
_cell_length_c 16.954473
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveSelectedAtomsAction | 814ad012-852e-4e65-90aa-005eb6ce3677 | mp-1245478 | Move atoms at indices [12] by [-0.131 -2.347 -0.295] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr4Fe8N12
_chemical_formula_sum "Cr4 Fe8 N12"
_cell_length_a 5.03270613
_cell_length_b 8.67560755
_cell_length_c 9.92142101
_cell_angle_alpha 90.00000061
_cell_angle_beta 94.19564493
_cell_angle_gamma 149.5331525
_space_group_name_... | data_image0
_chemical_formula_structural Cr4Fe8N12
_chemical_formula_sum "Cr4 Fe8 N12"
_cell_length_a 5.03270613
_cell_length_b 8.67560755
_cell_length_c 9.92142101
_cell_angle_alpha 90.00000061
_cell_angle_beta 94.19564493
_cell_angle_gamma 149.5331525
_space_group_name_... |
MoveSelectedAtomsAction | 058e7d93-52c7-424c-a674-849b4d88309c | mp-1177387 | Move atoms at indices [23, 56, 28, 72, 75, 6, 83, 17, 48, 51, 38, 19, 67, 26, 46, 24, 73, 85, 50, 78, 22, 13, 5, 31, 66, 49, 55, 60, 20, 25, 1, 77, 42, 80, 84, 63, 57, 53, 32, 59, 4, 82, 16, 76, 35, 61, 47, 36, 69, 52, 37, 11, 34, 40, 65, 18, 15, 0, 14, 87, 39, 70, 58, 9, 43, 54, 79, 7, 30, 41, 68, 45, 44] by [ 0.327 -... | data_image0
_chemical_formula_structural Li8V6P16O58
_chemical_formula_sum "Li8 V6 P16 O58"
_cell_length_a 9.74315413
_cell_length_b 9.74315413
_cell_length_c 14.215037
_cell_angle_alpha 89.94735393
_cell_angle_beta 89.94735393
_cell_angle_gamma 60.01237149999999
_space_g... | data_image0
_chemical_formula_structural Li8V6P16O58
_chemical_formula_sum "Li8 V6 P16 O58"
_cell_length_a 9.74315413
_cell_length_b 9.74315413
_cell_length_c 14.215037
_cell_angle_alpha 89.94735393
_cell_angle_beta 89.94735393
_cell_angle_gamma 60.01237149999999
_space_g... |
MoveSelectedAtomsAction | 74b6934b-a00b-4031-b473-09f0321d97be | mp-753678 | Move atoms at indices [1, 24, 22, 9, 8, 14, 21, 20, 12, 5, 2, 0, 17, 15, 16, 10, 6, 19, 11, 18, 13, 4, 23, 3, 7] by [ 2.016 -1.686 -2.146] angstrom in the cif file. | data_image0
_chemical_formula_structural BaW6O18
_chemical_formula_sum "Ba1 W6 O18"
_cell_length_a 7.4074885
_cell_length_b 7.4074885
_cell_length_c 7.61895556
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000361000001
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural BaW6O18
_chemical_formula_sum "Ba1 W6 O18"
_cell_length_a 7.4074885
_cell_length_b 7.4074885
_cell_length_c 7.61895556
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000361000001
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | 6b6d64da-9573-4f16-9aa8-252a7b457971 | mp-1522146 | Move atoms at indices [5, 20, 35, 38, 21, 28, 29, 17, 14, 37, 31, 32, 13, 15, 7, 27, 33, 10, 4, 11, 3] by [-3.602 1.557 1.093] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Na4Ce4Nb4O24
_chemical_formula_sum "Ba4 Na4 Ce4 Nb4 O24"
_cell_length_a 8.50927686
_cell_length_b 8.52224338
_cell_length_c 8.47541748
_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 Ba4Na4Ce4Nb4O24
_chemical_formula_sum "Ba4 Na4 Ce4 Nb4 O24"
_cell_length_a 8.50927686
_cell_length_b 8.52224338
_cell_length_c 8.47541748
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveSelectedAtomsAction | ddb90ee3-c4cd-4ec0-97fe-72ae2b2b20f2 | mp-1111777 | Move atoms at indices [2, 5, 8, 9, 7] by [-2.099 1.87 1.464] angstrom in the cif file. | data_image0
_chemical_formula_structural CsRb2SbCl6
_chemical_formula_sum "Cs1 Rb2 Sb1 Cl6"
_cell_length_a 8.36523586
_cell_length_b 8.36523586
_cell_length_c 8.36523586
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural CsRb2SbCl6
_chemical_formula_sum "Cs1 Rb2 Sb1 Cl6"
_cell_length_a 8.36523586
_cell_length_b 8.36523586
_cell_length_c 8.36523586
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... |
MoveSelectedAtomsAction | 493da84b-0d99-4325-8533-a581070a7066 | mp-760791 | Move atoms at indices [8, 47, 16, 1] by [-2.629 -1.042 2.12 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Cu10F34
_chemical_formula_sum "Li8 Cu10 F34"
_cell_length_a 6.453074
_cell_length_b 9.49745902
_cell_length_c 11.37776213
_cell_angle_alpha 103.388009
_cell_angle_beta 94.93763275
_cell_angle_gamma 109.50856340999998
_space_grou... | data_image0
_chemical_formula_structural Li8Cu10F34
_chemical_formula_sum "Li8 Cu10 F34"
_cell_length_a 6.453074
_cell_length_b 9.49745902
_cell_length_c 11.37776213
_cell_angle_alpha 103.388009
_cell_angle_beta 94.93763275
_cell_angle_gamma 109.50856340999998
_space_grou... |
MoveSelectedAtomsAction | e4d30202-9ab7-4d1d-a013-5d687fbabdd5 | mp-1236434 | Move atoms at indices [7] by [ 0.594 -1.294 -0.64 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr4LiMn2Cu3S4O4
_chemical_formula_sum "Sr4 Li1 Mn2 Cu3 S4 O4"
_cell_length_a 5.91148118
_cell_length_b 5.90005843
_cell_length_c 9.35569443
_cell_angle_alpha 91.18388019999999
_cell_angle_beta 71.59014073
_cell_angle_gamma 93.837192... | data_image0
_chemical_formula_structural Sr4LiMn2Cu3S4O4
_chemical_formula_sum "Sr4 Li1 Mn2 Cu3 S4 O4"
_cell_length_a 5.91148118
_cell_length_b 5.90005843
_cell_length_c 9.35569443
_cell_angle_alpha 91.18388019999999
_cell_angle_beta 71.59014073
_cell_angle_gamma 93.837192... |
MoveSelectedAtomsAction | 45bf6d86-032d-4103-b470-930cf7f7e4ae | mp-766011 | Move atoms at indices [10, 0, 8] by [ 0.018 -2.134 -1.78 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li3VCrP2H2O10
_chemical_formula_sum "Li3 V1 Cr1 P2 H2 O10"
_cell_length_a 5.22824342
_cell_length_b 5.576221759999999
_cell_length_c 7.56144685
_cell_angle_alpha 108.83346223000001
_cell_angle_beta 109.69480763
_cell_angle_gamma 94.... | data_image0
_chemical_formula_structural Li3VCrP2H2O10
_chemical_formula_sum "Li3 V1 Cr1 P2 H2 O10"
_cell_length_a 5.22824342
_cell_length_b 5.576221759999999
_cell_length_c 7.56144685
_cell_angle_alpha 108.83346223000001
_cell_angle_beta 109.69480763
_cell_angle_gamma 94.... |
MoveSelectedAtomsAction | 7ee3cbf0-952b-41a8-aea4-2b4132d9dec4 | mp-1193261 | Move atoms at indices [3, 8, 15, 6, 23] by [1.679 0.614 0.3 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs4H4C4N8O8
_chemical_formula_sum "Cs4 H4 C4 N8 O8"
_cell_length_a 4.875682
_cell_length_b 13.717342
_cell_length_c 7.961561659999999
_cell_angle_alpha 90.0
_cell_angle_beta 97.09784046
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Cs4H4C4N8O8
_chemical_formula_sum "Cs4 H4 C4 N8 O8"
_cell_length_a 4.875682
_cell_length_b 13.717342
_cell_length_c 7.961561659999999
_cell_angle_alpha 90.0
_cell_angle_beta 97.09784046
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveSelectedAtomsAction | 460bb00d-1961-4bcc-bc5a-ff9c0fe4af37 | mp-600154 | Move atoms at indices [22, 28, 32, 38, 24, 8, 17, 42, 14, 6, 34, 43, 39, 5, 41, 46, 19, 0, 3, 26, 27, 18, 25, 53, 23, 52, 12, 50, 1, 13, 15, 37, 33, 47, 30, 45, 51, 40, 4, 36, 49, 20, 48, 10, 44, 2, 9, 31] by [-0.382 -2.265 0.982] angstrom in the cif file. | data_image0
_chemical_formula_structural K4Cu2H16C8O24
_chemical_formula_sum "K4 Cu2 H16 C8 O24"
_cell_length_a 14.876185
_cell_length_b 3.89234
_cell_length_c 11.41313892
_cell_angle_alpha 73.48774049999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... | data_image0
_chemical_formula_structural K4Cu2H16C8O24
_chemical_formula_sum "K4 Cu2 H16 C8 O24"
_cell_length_a 14.876185
_cell_length_b 3.89234
_cell_length_c 11.41313892
_cell_angle_alpha 73.48774049999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
MoveSelectedAtomsAction | c1782867-6a51-405f-a481-dca09676b54c | mp-1173945 | Move atoms at indices [3] by [-1.152 -1.768 3.268] angstrom in the cif file. | data_image0
_chemical_formula_structural Li6Mn4O10
_chemical_formula_sum "Li6 Mn4 O10"
_cell_length_a 2.88677384
_cell_length_b 9.87527634
_cell_length_c 6.744225100000001
_cell_angle_alpha 103.09512629
_cell_angle_beta 77.64228958
_cell_angle_gamma 90.00187715
_space_gro... | data_image0
_chemical_formula_structural Li6Mn4O10
_chemical_formula_sum "Li6 Mn4 O10"
_cell_length_a 2.88677384
_cell_length_b 9.87527634
_cell_length_c 6.744225100000001
_cell_angle_alpha 103.09512629
_cell_angle_beta 77.64228958
_cell_angle_gamma 90.00187715
_space_gro... |
MoveSelectedAtomsAction | 4be316a2-faea-4442-b34b-85217e1797fa | mp-1110982 | Move atoms at indices [9, 4, 5, 3, 1, 6, 8] by [ 2.839 -1.883 0.257] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2NaCeF6
_chemical_formula_sum "Cs2 Na1 Ce1 F6"
_cell_length_a 6.63440109
_cell_length_b 6.63440109
_cell_length_c 6.63440109
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Cs2NaCeF6
_chemical_formula_sum "Cs2 Na1 Ce1 F6"
_cell_length_a 6.63440109
_cell_length_b 6.63440109
_cell_length_c 6.63440109
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... |
MoveSelectedAtomsAction | fd540eef-edaa-47af-96c5-6d9cfe5f349d | mp-1034441 | Move atoms at indices [29, 11, 24, 3, 21, 15, 17, 6, 9, 2, 13, 8, 0, 7, 31, 1, 16, 30, 5, 10, 4, 20] by [ 2.113 -0.23 -2.991] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14CrSnO16
_chemical_formula_sum "Mg14 Cr1 Sn1 O16"
_cell_length_a 8.7697254
_cell_length_b 8.66107133
_cell_length_c 4.36215442
_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 Mg14CrSnO16
_chemical_formula_sum "Mg14 Cr1 Sn1 O16"
_cell_length_a 8.7697254
_cell_length_b 8.66107133
_cell_length_c 4.36215442
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveSelectedAtomsAction | eaf4d60c-5dac-41e6-8dc4-563e6406a351 | mp-18288 | Move atoms at indices [24, 5, 17, 26, 2, 13, 4, 15, 0, 11, 14, 3, 9, 22, 20, 6, 27, 25] by [-0.463 1.062 4.922] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti4Sn8O16
_chemical_formula_sum "Ti4 Sn8 O16"
_cell_length_a 8.53328795
_cell_length_b 8.53328795
_cell_length_c 5.93015972
_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 Ti4Sn8O16
_chemical_formula_sum "Ti4 Sn8 O16"
_cell_length_a 8.53328795
_cell_length_b 8.53328795
_cell_length_c 5.93015972
_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 | 1a7a62f2-78f9-49ac-8b4f-e314c403da48 | mp-1520090 | Move atoms at indices [6, 10, 9, 14, 4, 5, 15] by [ 0.672 -0.832 -0.327] angstrom in the cif file. | data_image0
_chemical_formula_structural LiLaFe4O12
_chemical_formula_sum "Li1 La1 Fe4 O12"
_cell_length_a 5.25865836
_cell_length_b 5.25865836
_cell_length_c 7.74007929
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 91.18608768000001
_space_group_name_H-M... | data_image0
_chemical_formula_structural LiLaFe4O12
_chemical_formula_sum "Li1 La1 Fe4 O12"
_cell_length_a 5.25865836
_cell_length_b 5.25865836
_cell_length_c 7.74007929
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 91.18608768000001
_space_group_name_H-M... |
MoveSelectedAtomsAction | a968c0b4-2286-46ae-a7ec-c01efadb670a | mp-1100809 | Move atoms at indices [21, 8, 14, 7, 20, 18, 12, 5, 25, 24, 11, 15, 6, 1, 3, 0, 10, 2, 16, 26, 9, 19, 22, 17, 23, 13] by [ 1.765 -2.783 -1.188] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr3Cu6Cl18
_chemical_formula_sum "Zr3 Cu6 Cl18"
_cell_length_a 11.35578116
_cell_length_b 10.99052115
_cell_length_c 6.05785421
_cell_angle_alpha 90.19196004
_cell_angle_beta 90.67373892
_cell_angle_gamma 120.31682264999999
_space_... | data_image0
_chemical_formula_structural Zr3Cu6Cl18
_chemical_formula_sum "Zr3 Cu6 Cl18"
_cell_length_a 11.35578116
_cell_length_b 10.99052115
_cell_length_c 6.05785421
_cell_angle_alpha 90.19196004
_cell_angle_beta 90.67373892
_cell_angle_gamma 120.31682264999999
_space_... |
MoveSelectedAtomsAction | f9f53475-4ccd-40c8-9aae-d9e947c33bef | mp-1030723 | Move atoms at indices [1, 3, 8, 6, 10, 5, 4, 2, 11, 9] by [1.572 0.545 0.957] angstrom in the cif file. | data_image0
_chemical_formula_structural Te2Mo3WSe2S4
_chemical_formula_sum "Te2 Mo3 W1 Se2 S4"
_cell_length_a 3.3072276
_cell_length_b 3.3072276
_cell_length_c 37.574663
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999196
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Te2Mo3WSe2S4
_chemical_formula_sum "Te2 Mo3 W1 Se2 S4"
_cell_length_a 3.3072276
_cell_length_b 3.3072276
_cell_length_c 37.574663
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999196
_space_group_name_H-M_alt... |
MoveSelectedAtomsAction | cb2da0b7-63c7-438f-be54-4c7ef18237fd | mp-1195679 | Move atoms at indices [1, 27, 17, 16, 9, 44, 15, 37, 12, 11, 18, 35, 26, 31, 24, 28, 36, 14, 34, 10, 29, 46, 43, 4, 33, 25, 30, 6, 2, 0, 5, 23, 45, 3, 41, 19, 47, 42, 8, 21, 40, 20, 22, 32] by [-0.452 -0.925 -0.482] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs4Th2Si12O30
_chemical_formula_sum "Cs4 Th2 Si12 O30"
_cell_length_a 7.31475292
_cell_length_b 9.02903799
_cell_length_c 13.67658044
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.89540632
_space_group_name_H-M... | data_image0
_chemical_formula_structural Cs4Th2Si12O30
_chemical_formula_sum "Cs4 Th2 Si12 O30"
_cell_length_a 7.31475292
_cell_length_b 9.02903799
_cell_length_c 13.67658044
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.89540632
_space_group_name_H-M... |
MoveSelectedAtomsAction | 4e773e09-3150-40f1-9c56-d9745a26a2e0 | mp-3855 | Move atoms at indices [1, 6, 26, 17, 16, 8, 2, 3, 11, 7, 25, 15, 23, 4, 20, 22, 21, 0, 27, 14, 18, 5, 24, 12, 19, 13] by [-0.92 -0.21 -0.322] angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Be4F16
_chemical_formula_sum "Na8 Be4 F16"
_cell_length_a 7.91401356
_cell_length_b 5.50453165
_cell_length_c 8.73089148
_cell_angle_alpha 61.61105424
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Na8Be4F16
_chemical_formula_sum "Na8 Be4 F16"
_cell_length_a 7.91401356
_cell_length_b 5.50453165
_cell_length_c 8.73089148
_cell_angle_alpha 61.61105424
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveSelectedAtomsAction | a57e4f5e-52db-416a-951a-5f008993e723 | mp-1224658 | Move atoms at indices [13, 33, 39, 20, 14, 10, 9, 8, 25, 24, 19, 34, 35, 4, 30, 6, 17, 18, 27] by [ 0.629 -3.797 0.873] angstrom in the cif file. | data_image0
_chemical_formula_structural Ho4Fe34C2
_chemical_formula_sum "Ho4 Fe34 C2"
_cell_length_a 8.249865
_cell_length_b 8.5140411
_cell_length_c 8.53877109
_cell_angle_alpha 119.90410991000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ho4Fe34C2
_chemical_formula_sum "Ho4 Fe34 C2"
_cell_length_a 8.249865
_cell_length_b 8.5140411
_cell_length_c 8.53877109
_cell_angle_alpha 119.90410991000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 3f278e73-21e9-425d-98ae-d343b1f3996e | mp-765689 | Move atoms at indices [5, 22, 10, 0, 18, 2, 25, 4, 6, 9, 24, 23, 8, 13, 29, 15, 12, 20] by [-0.542 5.122 0.058] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Co6O4F12
_chemical_formula_sum "Li8 Co6 O4 F12"
_cell_length_a 5.26384155
_cell_length_b 5.94325295
_cell_length_c 10.44901011
_cell_angle_alpha 89.02161268999998
_cell_angle_beta 80.05865371
_cell_angle_gamma 72.16652366999999
... | data_image0
_chemical_formula_structural Li8Co6O4F12
_chemical_formula_sum "Li8 Co6 O4 F12"
_cell_length_a 5.26384155
_cell_length_b 5.94325295
_cell_length_c 10.44901011
_cell_angle_alpha 89.02161268999998
_cell_angle_beta 80.05865371
_cell_angle_gamma 72.16652366999999
... |
MoveSelectedAtomsAction | 65e27503-c92c-4a5e-8bdc-b6db3290cde5 | mp-628715 | Move atoms at indices [6, 14, 26, 13, 3, 19, 23, 21, 16, 18, 8, 11, 9, 2, 10, 15, 4] by [ 2.216 -1.319 0.105] angstrom in the cif file. | data_image0
_chemical_formula_structural K4Eu4P4Se16
_chemical_formula_sum "K4 Eu4 P4 Se16"
_cell_length_a 6.82166288
_cell_length_b 6.9404548
_cell_length_c 17.42114529
_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 K4Eu4P4Se16
_chemical_formula_sum "K4 Eu4 P4 Se16"
_cell_length_a 6.82166288
_cell_length_b 6.9404548
_cell_length_c 17.42114529
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveSelectedAtomsAction | 8bd87362-01e9-46b7-a3e5-fe8820db2a87 | mp-510604 | Move atoms at indices [5, 16, 7, 41, 47, 13, 38, 71, 39, 1, 37, 52, 61, 66, 45, 68, 69, 63] by [-2.17 0.061 2.088] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn32O48
_chemical_formula_sum "Mn32 O48"
_cell_length_a 9.41886143
_cell_length_b 9.42071325
_cell_length_c 9.41927971
_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 Mn32O48
_chemical_formula_sum "Mn32 O48"
_cell_length_a 9.41886143
_cell_length_b 9.42071325
_cell_length_c 9.41927971
_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 | 5dfe25b0-a243-47f6-a1a5-28f236a0c8a1 | mp-1209619 | Move atoms at indices [7, 8, 1] by [-1.501 -1.548 1.316] 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 | ca4b921c-7c18-45cd-b70f-f8ff4f7c5a7b | mp-1176176 | Move atoms at indices [0, 18, 29] by [-1.464 -1.864 2.678] angstrom in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 3.02272
_cell_length_b 9.76787124
_cell_length_c 9.98994925
_cell_angle_alpha 87.31177365
_cell_angle_beta 88.3866931
_cell_angle_gamma 82.58774870000002
_space_gr... | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 3.02272
_cell_length_b 9.76787124
_cell_length_c 9.98994925
_cell_angle_alpha 87.31177365
_cell_angle_beta 88.3866931
_cell_angle_gamma 82.58774870000002
_space_gr... |
MoveSelectedAtomsAction | b957d051-6f3e-4340-bd6b-a757c7c6d21e | mp-1193514 | Move atoms at indices [28, 18, 15, 25, 12, 24] by [ 2.978 -2.727 -1.416] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2V6O22
_chemical_formula_sum "Sr2 V6 O22"
_cell_length_a 11.228262
_cell_length_b 5.289352
_cell_length_c 9.07300453
_cell_angle_alpha 86.99417824
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Sr2V6O22
_chemical_formula_sum "Sr2 V6 O22"
_cell_length_a 11.228262
_cell_length_b 5.289352
_cell_length_c 9.07300453
_cell_angle_alpha 86.99417824
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
MoveSelectedAtomsAction | 8fa72418-7a1a-4c4e-9006-de64d8b7725a | mp-735491 | Move atoms at indices [39, 7, 17, 9, 14, 8, 21, 44, 19, 1, 26, 23, 40, 4, 22, 11, 27, 33, 32, 10, 28, 29, 3, 31, 25, 43] by [0.623 0.631 0.29 ] angstrom in the cif file. | data_image0
_chemical_formula_structural CaMg2H24Cl6O12
_chemical_formula_sum "Ca1 Mg2 H24 Cl6 O12"
_cell_length_a 8.277824
_cell_length_b 8.954916900000002
_cell_length_c 13.061188509999997
_cell_angle_alpha 106.75466694
_cell_angle_beta 90.4882698
_cell_angle_gamma 107.1... | data_image0
_chemical_formula_structural CaMg2H24Cl6O12
_chemical_formula_sum "Ca1 Mg2 H24 Cl6 O12"
_cell_length_a 8.277824
_cell_length_b 8.954916900000002
_cell_length_c 13.061188509999997
_cell_angle_alpha 106.75466694
_cell_angle_beta 90.4882698
_cell_angle_gamma 107.1... |
MoveSelectedAtomsAction | ec3150be-af1f-4076-b9eb-bd6d10851186 | mp-28118 | Move atoms at indices [6, 9, 13, 11, 7, 1] by [-2.901 -0.808 1.185] angstrom in the cif file. | data_image0
_chemical_formula_structural Al2Sb2I12
_chemical_formula_sum "Al2 Sb2 I12"
_cell_length_a 7.51513469
_cell_length_b 10.55020765
_cell_length_c 10.55020827
_cell_angle_alpha 79.31177768
_cell_angle_beta 70.49784906
_cell_angle_gamma 70.49784278
_space_group_nam... | data_image0
_chemical_formula_structural Al2Sb2I12
_chemical_formula_sum "Al2 Sb2 I12"
_cell_length_a 7.51513469
_cell_length_b 10.55020765
_cell_length_c 10.55020827
_cell_angle_alpha 79.31177768
_cell_angle_beta 70.49784906
_cell_angle_gamma 70.49784278
_space_group_nam... |
MoveSelectedAtomsAction | 3d9e9133-8791-47fb-a01f-0472d15d554b | mp-1201107 | Move atoms at indices [53, 46, 84, 54, 38, 12, 42, 39, 1, 17, 30, 77, 33, 0, 85, 23, 47, 49, 41, 25, 51, 34, 88, 11, 83, 64, 69, 19, 40, 22, 65, 13, 74, 43, 45, 32, 21, 76, 8, 72, 57, 4, 16, 75, 7, 18, 6, 62, 27, 20, 63, 87, 9, 31, 68, 89, 48, 66, 10, 67, 36, 24, 78, 80, 14, 70, 61, 44, 59, 71, 2, 81, 26, 73, 29, 5, 56... | data_image0
_chemical_formula_structural Zn2B20H52O16
_chemical_formula_sum "Zn2 B20 H52 O16"
_cell_length_a 6.908729
_cell_length_b 7.43949478
_cell_length_c 18.47887034
_cell_angle_alpha 80.44130898999998
_cell_angle_beta 79.22597710000001
_cell_angle_gamma 62.3332663499... | data_image0
_chemical_formula_structural Zn2B20H52O16
_chemical_formula_sum "Zn2 B20 H52 O16"
_cell_length_a 6.908729
_cell_length_b 7.43949478
_cell_length_c 18.47887034
_cell_angle_alpha 80.44130898999998
_cell_angle_beta 79.22597710000001
_cell_angle_gamma 62.3332663499... |
MoveSelectedAtomsAction | 51a402e5-d295-479d-a5bc-634778d0aad3 | mp-2232505 | Move atoms at indices [11, 8, 2, 0, 13, 1, 9, 7, 5, 3] by [ 2.41 0.274 -1.201] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2YMgFe3O8
_chemical_formula_sum "Ba2 Y1 Mg1 Fe3 O8"
_cell_length_a 3.98973126
_cell_length_b 3.98972678
_cell_length_c 15.18140131
_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 Ba2YMgFe3O8
_chemical_formula_sum "Ba2 Y1 Mg1 Fe3 O8"
_cell_length_a 3.98973126
_cell_length_b 3.98972678
_cell_length_c 15.18140131
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | 5a4a3a03-1404-41ab-b299-91e24bb56612 | mp-1205853 | Move atoms at indices [6] by [ 2.43 -0.688 0.636] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd4In2Au4
_chemical_formula_sum "Nd4 In2 Au4"
_cell_length_a 8.04285031
_cell_length_b 8.04285031
_cell_length_c 3.92047908
_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 Nd4In2Au4
_chemical_formula_sum "Nd4 In2 Au4"
_cell_length_a 8.04285031
_cell_length_b 8.04285031
_cell_length_c 3.92047908
_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 | 78f29824-f878-4bdb-8541-60105a2cf880 | mp-636519 | Move atoms at indices [9, 7, 13, 10, 11, 4, 5, 8, 0, 3, 1, 6, 2] by [-0.082 -0.972 -1.38 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ni2Rh4O8
_chemical_formula_sum "Ni2 Rh4 O8"
_cell_length_a 5.96787122
_cell_length_b 6.14836507
_cell_length_c 5.96791536
_cell_angle_alpha 119.02436597
_cell_angle_beta 90.00320417
_cell_angle_gamma 119.02240357
_space_group_name_... | data_image0
_chemical_formula_structural Ni2Rh4O8
_chemical_formula_sum "Ni2 Rh4 O8"
_cell_length_a 5.96787122
_cell_length_b 6.14836507
_cell_length_c 5.96791536
_cell_angle_alpha 119.02436597
_cell_angle_beta 90.00320417
_cell_angle_gamma 119.02240357
_space_group_name_... |
MoveSelectedAtomsAction | 15f449a6-04bb-4059-88b1-0a24135bf31e | mp-20268 | Move atoms at indices [11, 1, 5, 3, 6, 8, 9, 0] by [ 1.8 -0.417 1.974] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti4Ge4Pd4
_chemical_formula_sum "Ti4 Ge4 Pd4"
_cell_length_a 3.84471038
_cell_length_b 6.4022481
_cell_length_c 7.552176479999999
_cell_angle_alpha 89.99749709
_cell_angle_beta 89.99999969999999
_cell_angle_gamma 89.99999966999998
... | data_image0
_chemical_formula_structural Ti4Ge4Pd4
_chemical_formula_sum "Ti4 Ge4 Pd4"
_cell_length_a 3.84471038
_cell_length_b 6.4022481
_cell_length_c 7.552176479999999
_cell_angle_alpha 89.99749709
_cell_angle_beta 89.99999969999999
_cell_angle_gamma 89.99999966999998
... |
MoveSelectedAtomsAction | d1a85dc6-9d5e-42c1-be2a-42ee7dc76f7a | mp-2235569 | Move atoms at indices [9, 2, 12, 13, 5, 1, 8, 7] by [-0.906 -1.54 3.744] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr3Co2Cu2S2O5
_chemical_formula_sum "Sr3 Co2 Cu2 S2 O5"
_cell_length_a 3.9132808
_cell_length_b 3.91392552
_cell_length_c 13.8699461
_cell_angle_alpha 97.98614465
_cell_angle_beta 98.19198951999999
_cell_angle_gamma 90.06672837
_sp... | data_image0
_chemical_formula_structural Sr3Co2Cu2S2O5
_chemical_formula_sum "Sr3 Co2 Cu2 S2 O5"
_cell_length_a 3.9132808
_cell_length_b 3.91392552
_cell_length_c 13.8699461
_cell_angle_alpha 97.98614465
_cell_angle_beta 98.19198951999999
_cell_angle_gamma 90.06672837
_sp... |
MoveSelectedAtomsAction | 14b658a4-2faf-4f1b-acf7-fb5b91ab9dac | mp-1028272 | Move atoms at indices [13, 11, 9, 2] by [ 3.083 0.153 -1.696] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14TiSn
_chemical_formula_sum "Mg14 Ti1 Sn1"
_cell_length_a 6.3142147
_cell_length_b 6.314214199999999
_cell_length_c 10.3878148
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000260999998
_space_group_name_H... | data_image0
_chemical_formula_structural Mg14TiSn
_chemical_formula_sum "Mg14 Ti1 Sn1"
_cell_length_a 6.3142147
_cell_length_b 6.314214199999999
_cell_length_c 10.3878148
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000260999998
_space_group_name_H... |
MoveSelectedAtomsAction | 7fa88450-5454-4b16-956b-8d2ba2a96d89 | mp-1238117 | Move atoms at indices [38, 13, 12, 19, 40, 36, 42, 37, 22, 51, 33, 47, 0, 3, 20, 8, 46, 24, 6, 31, 28, 23, 1, 48, 39, 4, 26, 50, 49, 25, 18, 2, 32, 29, 14, 15, 44, 16, 21, 55, 27, 17, 54, 45, 52, 41, 10, 11, 53, 43, 35, 5] by [-0.275 -1.195 1.143] angstrom in the cif file. | data_image0
_chemical_formula_structural Hg2H8C24O6F16
_chemical_formula_sum "Hg2 H8 C24 O6 F16"
_cell_length_a 7.394295
_cell_length_b 8.291968700000002
_cell_length_c 11.727832569999999
_cell_angle_alpha 89.76842636
_cell_angle_beta 99.53525166
_cell_angle_gamma 99.99777... | data_image0
_chemical_formula_structural Hg2H8C24O6F16
_chemical_formula_sum "Hg2 H8 C24 O6 F16"
_cell_length_a 7.394295
_cell_length_b 8.291968700000002
_cell_length_c 11.727832569999999
_cell_angle_alpha 89.76842636
_cell_angle_beta 99.53525166
_cell_angle_gamma 99.99777... |
MoveSelectedAtomsAction | d265e8d8-eb29-4f45-9c8c-09490de3966b | mp-608551 | Move atoms at indices [19, 7, 3, 12, 6, 5, 13, 11, 15, 4, 21, 8, 20, 16, 2, 9, 1, 14, 10, 18] by [ 2.211 0.591 -1.345] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti2Al4Br16
_chemical_formula_sum "Ti2 Al4 Br16"
_cell_length_a 6.402735
_cell_length_b 10.46939
_cell_length_c 13.512877
_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 Ti2Al4Br16
_chemical_formula_sum "Ti2 Al4 Br16"
_cell_length_a 6.402735
_cell_length_b 10.46939
_cell_length_c 13.512877
_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 | 549b8622-64b7-4951-a27e-3c25c0bc2b93 | mp-1219192 | Move atoms at indices [0, 19, 14, 8, 11, 15, 5, 22, 23, 24, 1, 20] by [2.643 0.674 2.316] angstrom in the cif file. | data_image0
_chemical_formula_structural SmErTi2Fe16Co6
_chemical_formula_sum "Sm1 Er1 Ti2 Fe16 Co6"
_cell_length_a 4.711358
_cell_length_b 6.4268911
_cell_length_c 11.94269413
_cell_angle_alpha 90.00254284
_cell_angle_beta 90.0
_cell_angle_gamma 111.50206514
_space_group... | data_image0
_chemical_formula_structural SmErTi2Fe16Co6
_chemical_formula_sum "Sm1 Er1 Ti2 Fe16 Co6"
_cell_length_a 4.711358
_cell_length_b 6.4268911
_cell_length_c 11.94269413
_cell_angle_alpha 90.00254284
_cell_angle_beta 90.0
_cell_angle_gamma 111.50206514
_space_group... |
MoveSelectedAtomsAction | 37f9ebfb-8341-48e6-96a5-1f15c7de7433 | mp-1517276 | Move atoms at indices [7, 3, 6] by [-1.759 -1.524 1.083] angstrom in the cif file. | data_image0
_chemical_formula_structural KPrYSbO6
_chemical_formula_sum "K1 Pr1 Y1 Sb1 O6"
_cell_length_a 5.91217212
_cell_length_b 5.91217212
_cell_length_c 5.91217212
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural KPrYSbO6
_chemical_formula_sum "K1 Pr1 Y1 Sb1 O6"
_cell_length_a 5.91217212
_cell_length_b 5.91217212
_cell_length_c 5.91217212
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... |
MoveSelectedAtomsAction | 1fd2d8f0-a6ec-440e-b3dd-932e72a2b34c | mp-1246768 | Move atoms at indices [22, 4, 3, 21, 24, 20, 10, 25] by [-5.522 -0.642 -0.149] angstrom in the cif file. | data_image0
_chemical_formula_structural Sn10Ge4N12
_chemical_formula_sum "Sn10 Ge4 N12"
_cell_length_a 5.74280682
_cell_length_b 7.10310896
_cell_length_c 14.77184992
_cell_angle_alpha 90.00000047
_cell_angle_beta 94.04329665999998
_cell_angle_gamma 128.20196312
_space_g... | data_image0
_chemical_formula_structural Sn10Ge4N12
_chemical_formula_sum "Sn10 Ge4 N12"
_cell_length_a 5.74280682
_cell_length_b 7.10310896
_cell_length_c 14.77184992
_cell_angle_alpha 90.00000047
_cell_angle_beta 94.04329665999998
_cell_angle_gamma 128.20196312
_space_g... |
MoveSelectedAtomsAction | 718c226e-6f2e-424a-8f8f-805b1fb3a1dc | mp-755923 | Move atoms at indices [12, 0, 8, 4, 3, 6, 16] by [-0.76 4.334 -0.703] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe6O7F5
_chemical_formula_sum "Fe6 O7 F5"
_cell_length_a 5.67210132
_cell_length_b 5.6721013199999994
_cell_length_c 7.677123809999999
_cell_angle_alpha 68.84161360999998
_cell_angle_beta 68.84161361
_cell_angle_gamma 69.79104959
_... | data_image0
_chemical_formula_structural Fe6O7F5
_chemical_formula_sum "Fe6 O7 F5"
_cell_length_a 5.67210132
_cell_length_b 5.6721013199999994
_cell_length_c 7.677123809999999
_cell_angle_alpha 68.84161360999998
_cell_angle_beta 68.84161361
_cell_angle_gamma 69.79104959
_... |
MoveSelectedAtomsAction | 661c71ab-c0ce-42da-99e3-88bcb837be92 | mp-1195679 | Move atoms at indices [16, 34, 10, 9, 47, 27, 17, 37, 46, 22, 33, 4, 28, 11, 25, 6, 8, 42, 5, 43, 36, 18, 44, 38, 31, 15, 35, 24, 19, 26, 12, 13, 32, 39, 21, 45, 29, 0, 1, 3, 14, 20, 23] by [0.89 0.026 1.139] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs4Th2Si12O30
_chemical_formula_sum "Cs4 Th2 Si12 O30"
_cell_length_a 7.31475292
_cell_length_b 9.02903799
_cell_length_c 13.67658044
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.89540632
_space_group_name_H-M... | data_image0
_chemical_formula_structural Cs4Th2Si12O30
_chemical_formula_sum "Cs4 Th2 Si12 O30"
_cell_length_a 7.31475292
_cell_length_b 9.02903799
_cell_length_c 13.67658044
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.89540632
_space_group_name_H-M... |
MoveSelectedAtomsAction | 6db8cb2d-0000-4a1c-ad63-59db96f9c956 | mp-1035335 | Move atoms at indices [10, 26, 21, 1, 20, 9, 27, 13, 18, 0, 31, 17, 29, 15, 23, 24, 6, 22, 28, 30, 2, 4, 3, 8, 25, 19, 7, 16, 11, 14] by [ 0.302 -1.95 1.838] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14TiCuO16
_chemical_formula_sum "Mg14 Ti1 Cu1 O16"
_cell_length_a 8.57209372
_cell_length_b 8.61892722
_cell_length_c 4.23942272
_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 Mg14TiCuO16
_chemical_formula_sum "Mg14 Ti1 Cu1 O16"
_cell_length_a 8.57209372
_cell_length_b 8.61892722
_cell_length_c 4.23942272
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveSelectedAtomsAction | c0d1060d-48f3-4c46-8313-7b6d9a51ede4 | mp-569221 | Move atoms at indices [27, 24, 25, 12, 26, 28, 22, 3, 29, 13, 16, 8, 11, 20, 30, 1, 2, 6, 23, 17, 21, 18, 9, 10] by [ 0.417 -3.391 -4.586] angstrom in the cif file. | data_image0
_chemical_formula_structural Sm2C12N18
_chemical_formula_sum "Sm2 C12 N18"
_cell_length_a 7.10072599
_cell_length_b 7.10072599
_cell_length_c 10.592717
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.80041197
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Sm2C12N18
_chemical_formula_sum "Sm2 C12 N18"
_cell_length_a 7.10072599
_cell_length_b 7.10072599
_cell_length_c 10.592717
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.80041197
_space_group_name_H-M_alt "P ... |
MoveSelectedAtomsAction | fe697437-b8c0-48ae-b113-22d8530ad1a2 | mp-1522640 | Move atoms at indices [5, 4, 6, 7, 2] by [-1.432 3.131 2.222] angstrom in the cif file. | data_image0
_chemical_formula_structural CaCeEuGeO6
_chemical_formula_sum "Ca1 Ce1 Eu1 Ge1 O6"
_cell_length_a 5.86875998
_cell_length_b 5.86875998
_cell_length_c 5.86875998
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural CaCeEuGeO6
_chemical_formula_sum "Ca1 Ce1 Eu1 Ge1 O6"
_cell_length_a 5.86875998
_cell_length_b 5.86875998
_cell_length_c 5.86875998
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... |
MoveSelectedAtomsAction | a2aa7a77-c4ab-4afc-b307-6ea73bc67b37 | mp-1239174 | Move atoms at indices [7, 25, 13, 10, 16, 18, 11, 2] by [-2.286 0.712 1.176] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti4Cr4Cu4S16
_chemical_formula_sum "Ti4 Cr4 Cu4 S16"
_cell_length_a 5.730751
_cell_length_b 7.036218
_cell_length_c 11.880694
_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 Ti4Cr4Cu4S16
_chemical_formula_sum "Ti4 Cr4 Cu4 S16"
_cell_length_a 5.730751
_cell_length_b 7.036218
_cell_length_c 11.880694
_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 | 83c888dd-392b-4268-a8e8-6eb1b2abb09c | mp-29429 | Move atoms at indices [20, 22, 12, 16, 34, 28, 36, 24, 18, 37, 19, 29, 1, 25, 10, 2, 17, 31, 5, 26, 14, 13, 4, 6, 30, 15, 39, 9, 0] by [-3.563 1.319 0.466] angstrom in the cif file. | data_image0
_chemical_formula_structural Te8C8F24
_chemical_formula_sum "Te8 C8 F24"
_cell_length_a 11.794863
_cell_length_b 7.034608
_cell_length_c 10.44832753
_cell_angle_alpha 79.14750964
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Te8C8F24
_chemical_formula_sum "Te8 C8 F24"
_cell_length_a 11.794863
_cell_length_b 7.034608
_cell_length_c 10.44832753
_cell_angle_alpha 79.14750964
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveSelectedAtomsAction | fdb2f4fe-0789-44ba-83e6-1e00e0e69b35 | mp-1022061 | Move atoms at indices [3, 7, 4, 11, 12, 10, 1, 9, 14, 15, 0, 13, 2, 8, 6] by [-0.229 1.173 -3.047] angstrom in the cif file. | data_image0
_chemical_formula_structural La2Mg12Ni2
_chemical_formula_sum "La2 Mg12 Ni2"
_cell_length_a 4.834803
_cell_length_b 6.266038
_cell_length_c 12.206856
_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 La2Mg12Ni2
_chemical_formula_sum "La2 Mg12 Ni2"
_cell_length_a 4.834803
_cell_length_b 6.266038
_cell_length_c 12.206856
_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 | f2b44195-9a69-41a9-93ff-effaf2735a76 | mp-866339 | Move atoms at indices [13, 26, 21, 17, 7, 18, 1, 19, 20, 2, 3, 11, 12, 35, 10, 33, 16, 27, 24, 22, 5, 28, 29, 6, 9, 23, 14, 8, 15, 4, 31, 34, 30, 25] by [-0.399 -1.234 2.353] angstrom in the cif file. | data_image0
_chemical_formula_structural Cd4P8O24
_chemical_formula_sum "Cd4 P8 O24"
_cell_length_a 7.57599934
_cell_length_b 7.575999340000001
_cell_length_c 10.44956844
_cell_angle_alpha 65.96801028
_cell_angle_beta 65.96801028
_cell_angle_gamma 69.68253712999999
_space... | data_image0
_chemical_formula_structural Cd4P8O24
_chemical_formula_sum "Cd4 P8 O24"
_cell_length_a 7.57599934
_cell_length_b 7.575999340000001
_cell_length_c 10.44956844
_cell_angle_alpha 65.96801028
_cell_angle_beta 65.96801028
_cell_angle_gamma 69.68253712999999
_space... |
MoveSelectedAtomsAction | 374d32f7-6d27-43b2-ada9-fdd0a2f5b980 | mp-849652 | Move atoms at indices [14, 17, 13, 9, 5, 4] by [ 1.045 -0.441 -1.398] angstrom in the cif file. | data_image0
_chemical_formula_structural Li3Ti2Cu3O10
_chemical_formula_sum "Li3 Ti2 Cu3 O10"
_cell_length_a 5.13238304
_cell_length_b 5.31639157
_cell_length_c 7.72914503
_cell_angle_alpha 108.38343907
_cell_angle_beta 98.14914850000001
_cell_angle_gamma 104.26349796
_sp... | data_image0
_chemical_formula_structural Li3Ti2Cu3O10
_chemical_formula_sum "Li3 Ti2 Cu3 O10"
_cell_length_a 5.13238304
_cell_length_b 5.31639157
_cell_length_c 7.72914503
_cell_angle_alpha 108.38343907
_cell_angle_beta 98.14914850000001
_cell_angle_gamma 104.26349796
_sp... |
MoveSelectedAtomsAction | 8659ea61-d94f-4b9a-a1a6-5e4be1990b5a | mp-2228508 | Move atoms at indices [11, 8, 6, 12, 0, 1, 10, 7] by [ 1.224 0.065 -2.886] angstrom in the cif file. | data_image0
_chemical_formula_structural MgMn4FeO8
_chemical_formula_sum "Mg1 Mn4 Fe1 O8"
_cell_length_a 6.17323916
_cell_length_b 6.168942360000001
_cell_length_c 6.27863278
_cell_angle_alpha 84.22881575
_cell_angle_beta 57.969734389999985
_cell_angle_gamma 55.74491367000... | data_image0
_chemical_formula_structural MgMn4FeO8
_chemical_formula_sum "Mg1 Mn4 Fe1 O8"
_cell_length_a 6.17323916
_cell_length_b 6.168942360000001
_cell_length_c 6.27863278
_cell_angle_alpha 84.22881575
_cell_angle_beta 57.969734389999985
_cell_angle_gamma 55.74491367000... |
MoveSelectedAtomsAction | 3d980c03-d449-4f9a-b33d-20ebdf34631b | mp-731924 | Move atoms at indices [9, 20, 33, 4, 15, 50, 38, 46, 49, 47, 30, 2, 13, 3, 12, 29] by [0.093 1.829 3.629] angstrom in the cif file. | data_image0
_chemical_formula_structural V4P4H20N4O24
_chemical_formula_sum "V4 P4 H20 N4 O24"
_cell_length_a 6.879497
_cell_length_b 9.163433
_cell_length_c 9.663734
_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 V4P4H20N4O24
_chemical_formula_sum "V4 P4 H20 N4 O24"
_cell_length_a 6.879497
_cell_length_b 9.163433
_cell_length_c 9.663734
_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 | b35a11d7-2181-4d84-94e7-80c960b48df4 | mp-532384 | Move atoms at indices [17, 66] by [ 0.016 -1.165 -1.581] angstrom in the cif file. | data_image0
_chemical_formula_structural Dy16Ti16O56
_chemical_formula_sum "Dy16 Ti16 O56"
_cell_length_a 7.24247993
_cell_length_b 7.242479929999999
_cell_length_c 23.77533748
_cell_angle_alpha 80.77355742
_cell_angle_beta 80.77355742
_cell_angle_gamma 59.605854029999996
... | data_image0
_chemical_formula_structural Dy16Ti16O56
_chemical_formula_sum "Dy16 Ti16 O56"
_cell_length_a 7.24247993
_cell_length_b 7.242479929999999
_cell_length_c 23.77533748
_cell_angle_alpha 80.77355742
_cell_angle_beta 80.77355742
_cell_angle_gamma 59.605854029999996
... |
MoveSelectedAtomsAction | 947c474a-e8cb-49da-87c6-c39c727e11fb | mp-558603 | Move atoms at indices [8, 20, 15, 10, 22, 7, 0, 23, 5, 29, 14, 2, 9, 18, 28, 26, 24, 27, 13, 25] by [1.874 0.018 1.998] angstrom in the cif file. | data_image0
_chemical_formula_structural K4Si8O18
_chemical_formula_sum "K4 Si8 O18"
_cell_length_a 4.93890481
_cell_length_b 8.34642066
_cell_length_c 12.1241052
_cell_angle_alpha 71.14050658
_cell_angle_beta 89.68090569
_cell_angle_gamma 89.07631855999999
_space_group_n... | data_image0
_chemical_formula_structural K4Si8O18
_chemical_formula_sum "K4 Si8 O18"
_cell_length_a 4.93890481
_cell_length_b 8.34642066
_cell_length_c 12.1241052
_cell_angle_alpha 71.14050658
_cell_angle_beta 89.68090569
_cell_angle_gamma 89.07631855999999
_space_group_n... |
MoveSelectedAtomsAction | c78ad8dc-973f-4fc9-a8c9-f738daeb5195 | mp-568053 | Move atoms at indices [6, 12, 15, 1, 11, 7] by [-3.665 0.119 -4.781] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb4Ga12Pt
_chemical_formula_sum "Tb4 Ga12 Pt1"
_cell_length_a 7.42054485
_cell_length_b 7.420544879999999
_cell_length_c 7.42054551
_cell_angle_alpha 109.47121675000001
_cell_angle_beta 109.47121679
_cell_angle_gamma 109.47122431
_... | data_image0
_chemical_formula_structural Tb4Ga12Pt
_chemical_formula_sum "Tb4 Ga12 Pt1"
_cell_length_a 7.42054485
_cell_length_b 7.420544879999999
_cell_length_c 7.42054551
_cell_angle_alpha 109.47121675000001
_cell_angle_beta 109.47121679
_cell_angle_gamma 109.47122431
_... |
MoveSelectedAtomsAction | b2105fc6-c044-4856-8afb-82104bb36da3 | mp-1220625 | Move atoms at indices [3, 6, 5, 1, 7, 10] by [0.966 4.835 3.909] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd4Si7
_chemical_formula_sum "Nd4 Si7"
_cell_length_a 3.267497
_cell_length_b 5.589329
_cell_length_c 15.816714
_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_... | data_image0
_chemical_formula_structural Nd4Si7
_chemical_formula_sum "Nd4 Si7"
_cell_length_a 3.267497
_cell_length_b 5.589329
_cell_length_c 15.816714
_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_... |
MoveSelectedAtomsAction | aa91d374-d396-40a0-988f-294474688d0e | mp-1035395 | Move atoms at indices [12, 9, 13, 29, 11, 4, 14, 30, 8, 15, 25, 2, 7, 3, 21, 26, 17, 18, 6, 22, 1, 19, 23, 27] by [ 1.547 3.772 -1.881] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14VCuO16
_chemical_formula_sum "Mg14 V1 Cu1 O16"
_cell_length_a 8.556818
_cell_length_b 8.61277
_cell_length_c 4.238951
_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 Mg14VCuO16
_chemical_formula_sum "Mg14 V1 Cu1 O16"
_cell_length_a 8.556818
_cell_length_b 8.61277
_cell_length_c 4.238951
_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 | 14cc8b45-a031-4d8b-a6ca-fedebe7a788d | mp-771159 | Move atoms at indices [8, 19, 24, 20, 11, 13, 12, 14, 9, 15] by [ 0.344 -1.613 -0.26 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V6W2O16
_chemical_formula_sum "Li4 V6 W2 O16"
_cell_length_a 6.11881642
_cell_length_b 10.558866989999999
_cell_length_c 6.036078419999999
_cell_angle_alpha 105.36620891
_cell_angle_beta 59.61827603999999
_cell_angle_gamma 90.066... | data_image0
_chemical_formula_structural Li4V6W2O16
_chemical_formula_sum "Li4 V6 W2 O16"
_cell_length_a 6.11881642
_cell_length_b 10.558866989999999
_cell_length_c 6.036078419999999
_cell_angle_alpha 105.36620891
_cell_angle_beta 59.61827603999999
_cell_angle_gamma 90.066... |
MoveSelectedAtomsAction | f178fc6f-69fc-4867-85e0-b0e96ff57697 | mp-1198355 | Move atoms at indices [42, 40, 32, 9, 39, 18, 62, 65, 33, 1, 11, 41, 35, 6, 69, 37, 4, 17, 56, 0, 46, 27, 28, 63, 12, 23, 55, 58, 31, 19, 34, 44, 57, 59, 10, 50, 60, 13, 47, 26, 36, 25, 22, 67, 66, 48, 5, 7, 53, 52, 14, 51, 24, 68, 49, 3, 2, 15, 29, 45, 54, 38, 16, 30] by [ 0.298 2.172 -1.303] angstrom in the cif file... | data_image0
_chemical_formula_structural Sr4B22O44
_chemical_formula_sum "Sr4 B22 O44"
_cell_length_a 20.953108
_cell_length_b 6.71541
_cell_length_c 6.74694107
_cell_angle_alpha 60.48476556999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Sr4B22O44
_chemical_formula_sum "Sr4 B22 O44"
_cell_length_a 20.953108
_cell_length_b 6.71541
_cell_length_c 6.74694107
_cell_angle_alpha 60.48476556999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | 8632f9d8-42c4-4528-90cc-db4b935aa5ed | mp-1199595 | Move atoms at indices [13, 5, 17, 25, 45, 33, 22, 39, 9, 4, 1, 3, 48, 18, 15, 42, 16, 29, 12, 35, 20, 41, 32, 37, 27, 21, 47, 34, 44, 8, 26, 19, 36, 0] by [-1.418 0.898 3.17 ] angstrom in the cif file. | data_image0
_chemical_formula_structural MnSn4H24C8Se10N2
_chemical_formula_sum "Mn1 Sn4 H24 C8 Se10 N2"
_cell_length_a 10.91665963
_cell_length_b 10.91665963
_cell_length_c 10.91665963
_cell_angle_alpha 123.43561498000001
_cell_angle_beta 123.43561498000001
_cell_angle_gamma... | data_image0
_chemical_formula_structural MnSn4H24C8Se10N2
_chemical_formula_sum "Mn1 Sn4 H24 C8 Se10 N2"
_cell_length_a 10.91665963
_cell_length_b 10.91665963
_cell_length_c 10.91665963
_cell_angle_alpha 123.43561498000001
_cell_angle_beta 123.43561498000001
_cell_angle_gamma... |
MoveSelectedAtomsAction | 6fb003d8-919c-458a-b06b-e00b094d3359 | mp-28355 | Move atoms at indices [18, 9, 10, 2, 19, 0, 8, 12, 16, 6, 1, 13, 17, 20, 4, 15, 21, 14] by [ 2.412 -0.198 1.749] 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 | b27a0165-4e80-4650-a3b4-0864af47d1cc | mp-1217055 | Move atoms at indices [8, 12, 11, 9, 10, 7, 4, 2, 15, 6, 3, 13] by [-0.565 -2.719 1.19 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti2Al2Fe2O10
_chemical_formula_sum "Ti2 Al2 Fe2 O10"
_cell_length_a 5.22937343
_cell_length_b 5.22937343
_cell_length_c 9.745326
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 138.05324948
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ti2Al2Fe2O10
_chemical_formula_sum "Ti2 Al2 Fe2 O10"
_cell_length_a 5.22937343
_cell_length_b 5.22937343
_cell_length_c 9.745326
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 138.05324948
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 8aefe928-9728-4a29-b12d-f848c2ce96de | mp-753639 | Move atoms at indices [17, 3, 11, 15, 9, 21, 4, 20, 14, 13, 19, 2, 0, 16, 5, 18, 8] by [ 0.487 -0.044 0.225] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Ti2P2C2O14
_chemical_formula_sum "Li2 Ti2 P2 C2 O14"
_cell_length_a 6.447695
_cell_length_b 5.243688
_cell_length_c 8.2428729
_cell_angle_alpha 82.12488996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li2Ti2P2C2O14
_chemical_formula_sum "Li2 Ti2 P2 C2 O14"
_cell_length_a 6.447695
_cell_length_b 5.243688
_cell_length_c 8.2428729
_cell_angle_alpha 82.12488996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 01d0b8f3-0106-4e52-bb93-c796808246ef | mp-861612 | Move atoms at indices [15] by [-1.566 -0.011 0.916] 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 | 36c900cd-1f4a-4dc3-a772-c38318084af1 | mp-1078353 | Move atoms at indices [0, 5, 11, 18, 16] by [ 0.187 -0.647 -1.843] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn2Pb4W2O12
_chemical_formula_sum "Mn2 Pb4 W2 O12"
_cell_length_a 5.80682125
_cell_length_b 5.809345270000001
_cell_length_c 10.05465674
_cell_angle_alpha 73.28351843
_cell_angle_beta 89.96123195999999
_cell_angle_gamma 120.08865650... | data_image0
_chemical_formula_structural Mn2Pb4W2O12
_chemical_formula_sum "Mn2 Pb4 W2 O12"
_cell_length_a 5.80682125
_cell_length_b 5.809345270000001
_cell_length_c 10.05465674
_cell_angle_alpha 73.28351843
_cell_angle_beta 89.96123195999999
_cell_angle_gamma 120.08865650... |
MoveSelectedAtomsAction | 878b3af0-da97-45a5-a549-8a9f08aea9f7 | mp-740718 | Move atoms at indices [68, 56, 87, 95, 38, 89, 27, 4, 48, 41, 52, 29, 37, 90, 15, 64, 28, 39, 47, 25, 9, 40, 93, 17, 50, 49, 61, 73, 6, 5, 36, 14, 35, 51, 57, 3, 11, 23, 54, 83, 55, 69, 16, 58, 22, 0, 91, 63, 84, 71, 53, 7, 33, 82, 8, 86, 31, 34, 76, 13, 75, 70, 62, 18, 30, 79, 2, 85, 67, 21, 74, 81, 24, 19, 60, 1, 46,... | data_image0
_chemical_formula_structural Al8H48N16Cl24
_chemical_formula_sum "Al8 H48 N16 Cl24"
_cell_length_a 6.586838
_cell_length_b 11.505036
_cell_length_c 18.326803
_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 Al8H48N16Cl24
_chemical_formula_sum "Al8 H48 N16 Cl24"
_cell_length_a 6.586838
_cell_length_b 11.505036
_cell_length_c 18.326803
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveSelectedAtomsAction | 9a772cec-dc5a-4466-805a-e0cae4595bfe | mp-1206019 | Move atoms at indices [7, 5, 4, 0, 2, 3, 9, 6] by [ 1.061 -4.865 -0.207] angstrom in the cif file. | data_image0
_chemical_formula_structural Ce4SiI5
_chemical_formula_sum "Ce4 Si1 I5"
_cell_length_a 10.11161256
_cell_length_b 10.11161256
_cell_length_c 9.1419254
_cell_angle_alpha 76.92605644
_cell_angle_beta 76.92605644
_cell_angle_gamma 24.85752920999999
_space_group_n... | data_image0
_chemical_formula_structural Ce4SiI5
_chemical_formula_sum "Ce4 Si1 I5"
_cell_length_a 10.11161256
_cell_length_b 10.11161256
_cell_length_c 9.1419254
_cell_angle_alpha 76.92605644
_cell_angle_beta 76.92605644
_cell_angle_gamma 24.85752920999999
_space_group_n... |
MoveSelectedAtomsAction | 30b67262-cd91-443d-b89b-ff28e6cb8338 | mp-1099219 | Move atoms at indices [8, 9, 18, 12, 28, 31, 5, 6, 14, 29, 13, 24, 1, 17, 25, 11, 19, 10] by [ 0.799 1.193 -3.838] angstrom in the cif file. | data_image0
_chemical_formula_structural CsMg14SiO16
_chemical_formula_sum "Cs1 Mg14 Si1 O16"
_cell_length_a 8.790323
_cell_length_b 8.790323
_cell_length_c 4.468321
_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 CsMg14SiO16
_chemical_formula_sum "Cs1 Mg14 Si1 O16"
_cell_length_a 8.790323
_cell_length_b 8.790323
_cell_length_c 4.468321
_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 | caddbfdc-add8-4832-bf2a-5ec87597bfd2 | mp-1218673 | Move atoms at indices [22, 44, 42, 52, 20, 41, 21, 13, 2, 33, 8] by [ 0.887 2.031 -0.643] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr4Zn51
_chemical_formula_sum "Sr4 Zn51"
_cell_length_a 14.96096755
_cell_length_b 14.960967550000001
_cell_length_c 14.960967560000002
_cell_angle_alpha 33.90467868000001
_cell_angle_beta 33.90467868000001
_cell_angle_gamma 33.9046... | data_image0
_chemical_formula_structural Sr4Zn51
_chemical_formula_sum "Sr4 Zn51"
_cell_length_a 14.96096755
_cell_length_b 14.960967550000001
_cell_length_c 14.960967560000002
_cell_angle_alpha 33.90467868000001
_cell_angle_beta 33.90467868000001
_cell_angle_gamma 33.9046... |
MoveSelectedAtomsAction | cb1ff898-9d32-47c7-98f8-2f0ac5b77c89 | mp-1176271 | Move atoms at indices [25, 20, 22, 11, 18, 24, 29, 14, 0, 21, 10] by [-2.836 -0.772 -1.532] angstrom in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.039067
_cell_length_b 5.105266029999999
_cell_length_c 11.79768582
_cell_angle_alpha 91.14839872999998
_cell_angle_beta 92.07247457
_cell_angle_gamma 108.20262448... | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.039067
_cell_length_b 5.105266029999999
_cell_length_c 11.79768582
_cell_angle_alpha 91.14839872999998
_cell_angle_beta 92.07247457
_cell_angle_gamma 108.20262448... |
MoveSelectedAtomsAction | 82e43314-7dce-4869-ad98-48cb1ff752b5 | mp-777649 | Move atoms at indices [23, 14, 22, 28, 7, 9, 32, 34, 10, 42, 35, 45, 38, 19, 3, 31, 1, 29, 13, 16, 6, 8, 43, 41, 25, 17, 5, 21, 47, 39, 46, 24, 37, 20, 12, 11, 2, 0] by [ 0.382 1.501 -0.585] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Mn7FeB8O24
_chemical_formula_sum "Li8 Mn7 Fe1 B8 O24"
_cell_length_a 5.254754
_cell_length_b 8.29364163
_cell_length_c 12.126275779999999
_cell_angle_alpha 103.29875627
_cell_angle_beta 90.65501686
_cell_angle_gamma 90.7361999
_... | data_image0
_chemical_formula_structural Li8Mn7FeB8O24
_chemical_formula_sum "Li8 Mn7 Fe1 B8 O24"
_cell_length_a 5.254754
_cell_length_b 8.29364163
_cell_length_c 12.126275779999999
_cell_angle_alpha 103.29875627
_cell_angle_beta 90.65501686
_cell_angle_gamma 90.7361999
_... |
MoveSelectedAtomsAction | c5377e09-723c-478a-80b7-f5416ea9dbfe | mp-1522988 | Move atoms at indices [0, 6, 1, 8, 4, 7, 3] by [-2.11 1.902 -2.477] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2BiWO6
_chemical_formula_sum "Na2 Bi1 W1 O6"
_cell_length_a 5.87140786
_cell_length_b 5.87140786
_cell_length_c 5.871407859999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999999... | data_image0
_chemical_formula_structural Na2BiWO6
_chemical_formula_sum "Na2 Bi1 W1 O6"
_cell_length_a 5.87140786
_cell_length_b 5.87140786
_cell_length_c 5.871407859999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999999... |
MoveSelectedAtomsAction | 79020cab-6f14-41d6-bbbf-7da5e49d13c5 | mp-608551 | Move atoms at indices [7, 2, 4, 19, 9] by [ 0.361 -1.007 2.722] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti2Al4Br16
_chemical_formula_sum "Ti2 Al4 Br16"
_cell_length_a 6.402735
_cell_length_b 10.46939
_cell_length_c 13.512877
_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 Ti2Al4Br16
_chemical_formula_sum "Ti2 Al4 Br16"
_cell_length_a 6.402735
_cell_length_b 10.46939
_cell_length_c 13.512877
_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 | 937ed383-555a-4a7d-9e1b-4a1d6d4abb86 | mp-995217 | Move atoms at indices [15, 9, 12, 18, 11, 1, 2, 14, 19, 17, 0] by [0.88 1.653 0.729] angstrom in the cif file. | data_image0
_chemical_formula_structural H8C12
_chemical_formula_sum "H8 C12"
_cell_length_a 7.1561848
_cell_length_b 7.1561848
_cell_length_c 3.84354944
_cell_angle_alpha 82.92134499
_cell_angle_beta 82.92134499
_cell_angle_gamma 106.46795645999998
_space_group_name_H-M_... | data_image0
_chemical_formula_structural H8C12
_chemical_formula_sum "H8 C12"
_cell_length_a 7.1561848
_cell_length_b 7.1561848
_cell_length_c 3.84354944
_cell_angle_alpha 82.92134499
_cell_angle_beta 82.92134499
_cell_angle_gamma 106.46795645999998
_space_group_name_H-M_... |
MoveSelectedAtomsAction | 00642db0-c7c4-4c8b-8cd6-0626e68877af | mp-757370 | Move atoms at indices [24, 9, 34, 8, 25, 38, 7, 27, 26, 20, 17, 12, 11, 19, 37, 0, 5, 2, 14, 6, 33, 16, 39, 36, 22, 1, 28, 23, 18, 10, 32, 13, 3, 29, 15, 31, 30] by [ 2.155 -1.291 -0.488] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti5Fe11O24
_chemical_formula_sum "Ti5 Fe11 O24"
_cell_length_a 5.539158
_cell_length_b 9.14850058
_cell_length_c 9.16015664
_cell_angle_alpha 68.49942817
_cell_angle_beta 85.28037202000002
_cell_angle_gamma 85.01354387
_space_group... | data_image0
_chemical_formula_structural Ti5Fe11O24
_chemical_formula_sum "Ti5 Fe11 O24"
_cell_length_a 5.539158
_cell_length_b 9.14850058
_cell_length_c 9.16015664
_cell_angle_alpha 68.49942817
_cell_angle_beta 85.28037202000002
_cell_angle_gamma 85.01354387
_space_group... |
MoveSelectedAtomsAction | b1f9af8b-ba37-4d0b-ac2d-ea51004452ef | mp-556670 | Move atoms at indices [9, 41, 38, 32, 37, 20, 43, 15, 4, 46, 28, 40, 49, 19, 0, 27, 52, 42, 6, 12, 47, 29, 22, 23, 31, 55, 21, 48, 18, 53, 51, 5, 25, 14, 36, 13, 50, 44, 26, 7, 1, 8, 33, 2, 17, 16, 54, 39, 3, 45] by [2.344 2.03 3.245] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn4H24S4O24
_chemical_formula_sum "Mn4 H24 S4 O24"
_cell_length_a 5.674621
_cell_length_b 9.606863
_cell_length_c 9.924046
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Mn4H24S4O24
_chemical_formula_sum "Mn4 H24 S4 O24"
_cell_length_a 5.674621
_cell_length_b 9.606863
_cell_length_c 9.924046
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
MoveSelectedAtomsAction | b0cc6d3f-d84e-48d8-a01a-45bea73edb61 | mp-1210531 | Move atoms at indices [3, 42, 55, 26, 23, 31, 16, 4, 9, 45, 5, 12, 38, 10, 13, 50, 11, 14, 27, 39, 35, 36, 52, 28, 46, 30, 6, 53, 47, 20, 51, 2, 19, 22, 40, 44, 41, 24, 29, 17, 34, 21] by [ 0.225 -0.535 4.109] angstrom in the cif file. | data_image0
_chemical_formula_structural Pr14Br6O36
_chemical_formula_sum "Pr14 Br6 O36"
_cell_length_a 15.91249843
_cell_length_b 15.91249843
_cell_length_c 4.378747
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000178000002
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Pr14Br6O36
_chemical_formula_sum "Pr14 Br6 O36"
_cell_length_a 15.91249843
_cell_length_b 15.91249843
_cell_length_c 4.378747
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000178000002
_space_group_name_H-M_a... |
MoveSelectedAtomsAction | 9c2018cb-884e-4035-8150-06804687f302 | mp-1177033 | Move atoms at indices [53, 34, 69, 22, 20, 44, 3, 65, 63, 59, 56, 66, 78, 19, 62, 48, 39, 37, 60, 10, 42, 31, 76, 64, 40, 50, 51, 8, 49, 52, 43, 28, 73, 16, 36, 75, 9, 13, 29, 54, 71, 18, 61, 5, 26, 6, 32, 67, 14, 38, 70, 21, 1, 77, 25, 2, 23, 27, 24, 79, 12, 46, 74, 45, 15, 47, 33, 4, 0, 57, 72, 68, 11, 41, 35, 17, 30... | data_image0
_chemical_formula_structural Li12Mn6V2P12O48
_chemical_formula_sum "Li12 Mn6 V2 P12 O48"
_cell_length_a 8.612399
_cell_length_b 8.7233025
_cell_length_c 12.37088277
_cell_angle_alpha 89.88344668
_cell_angle_beta 88.10445251
_cell_angle_gamma 89.83653874
_space... | data_image0
_chemical_formula_structural Li12Mn6V2P12O48
_chemical_formula_sum "Li12 Mn6 V2 P12 O48"
_cell_length_a 8.612399
_cell_length_b 8.7233025
_cell_length_c 12.37088277
_cell_angle_alpha 89.88344668
_cell_angle_beta 88.10445251
_cell_angle_gamma 89.83653874
_space... |
MoveSelectedAtomsAction | 77381130-981d-4289-b900-328becd653f7 | mp-1224634 | Move atoms at indices [6, 15, 11, 1, 9, 34, 27, 21, 7, 28, 3, 39, 24, 10, 38, 4, 35, 14, 8, 25, 18, 22, 19, 36, 29] by [-0.345 1.283 0.595] angstrom in the cif file. | data_image0
_chemical_formula_structural In9Ga3Bi4S24
_chemical_formula_sum "In9 Ga3 Bi4 S24"
_cell_length_a 3.884257
_cell_length_b 20.47284027
_cell_length_c 12.59901753
_cell_angle_alpha 83.63688405
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural In9Ga3Bi4S24
_chemical_formula_sum "In9 Ga3 Bi4 S24"
_cell_length_a 3.884257
_cell_length_b 20.47284027
_cell_length_c 12.59901753
_cell_angle_alpha 83.63688405
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveSelectedAtomsAction | 66dac5ba-0dec-4007-9fed-b76549634c5c | mp-781014 | Move atoms at indices [29, 22, 35, 41, 34, 38, 6, 19, 9, 36, 15, 32, 33, 7, 20] by [-1.693 -0.989 2.631] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V4P8H4O32
_chemical_formula_sum "Li4 V4 P8 H4 O32"
_cell_length_a 7.480707
_cell_length_b 9.34636263
_cell_length_c 9.362421390000002
_cell_angle_alpha 117.49468419999998
_cell_angle_beta 97.92932522
_cell_angle_gamma 97.96877453... | data_image0
_chemical_formula_structural Li4V4P8H4O32
_chemical_formula_sum "Li4 V4 P8 H4 O32"
_cell_length_a 7.480707
_cell_length_b 9.34636263
_cell_length_c 9.362421390000002
_cell_angle_alpha 117.49468419999998
_cell_angle_beta 97.92932522
_cell_angle_gamma 97.96877453... |
MoveSelectedAtomsAction | 4c22d06f-5378-4766-a4cf-eaf0bb123b8b | mp-1199930 | Move atoms at indices [9, 34, 19, 25, 26, 6, 13, 23, 11, 17, 32, 10, 15, 8, 24, 31, 1, 30, 21, 35, 20, 28] by [0.566 1.636 0.492] angstrom in the cif file. | data_image0
_chemical_formula_structural Y4Co28Cu6
_chemical_formula_sum "Y4 Co28 Cu6"
_cell_length_a 8.31822461
_cell_length_b 8.31822461
_cell_length_c 8.147198
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000483
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Y4Co28Cu6
_chemical_formula_sum "Y4 Co28 Cu6"
_cell_length_a 8.31822461
_cell_length_b 8.31822461
_cell_length_c 8.147198
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000483
_space_group_name_H-M_alt "P 1... |
MoveSelectedAtomsAction | db6b30b7-035b-49d3-b27b-c1fc632c6658 | mp-1999 | Move atoms at indices [16, 12, 15, 8] by [-3.299 -1.772 -0.088] angstrom in the cif file. | data_image0
_chemical_formula_structural Sb8O12
_chemical_formula_sum "Sb8 O12"
_cell_length_a 7.93430228
_cell_length_b 7.93430258
_cell_length_c 7.93430209
_cell_angle_alpha 59.99999757999999
_cell_angle_beta 59.999996349999996
_cell_angle_gamma 60.00000136
_space_group... | data_image0
_chemical_formula_structural Sb8O12
_chemical_formula_sum "Sb8 O12"
_cell_length_a 7.93430228
_cell_length_b 7.93430258
_cell_length_c 7.93430209
_cell_angle_alpha 59.99999757999999
_cell_angle_beta 59.999996349999996
_cell_angle_gamma 60.00000136
_space_group... |
MoveSelectedAtomsAction | f9fc1c02-8b47-437a-9bb4-13f81f2c6770 | mp-753290 | Move atoms at indices [17, 12, 2, 15, 0, 8, 16, 13, 7, 11, 10, 5, 1, 6] by [-6.152 0.276 0.714] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe6O2F10
_chemical_formula_sum "Fe6 O2 F10"
_cell_length_a 4.782624
_cell_length_b 5.7936
_cell_length_c 8.08691079
_cell_angle_alpha 87.82672841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Fe6O2F10
_chemical_formula_sum "Fe6 O2 F10"
_cell_length_a 4.782624
_cell_length_b 5.7936
_cell_length_c 8.08691079
_cell_angle_alpha 87.82672841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
MoveSelectedAtomsAction | 826970ee-0657-4824-8476-d6a388ec013d | mp-1201334 | Move atoms at indices [7, 5, 13, 28, 41, 9, 21, 26, 38, 20] by [ 0.352 -3.574 -0.82 ] 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 | e6f8fe25-5405-4b5a-9e3a-f640083f22c7 | mp-753829 | Move atoms at indices [2, 1, 6] by [-1.435 1.047 1.737] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr4O6
_chemical_formula_sum "Cr4 O6"
_cell_length_a 5.05742377
_cell_length_b 5.52757376
_cell_length_c 5.05742872
_cell_angle_alpha 117.22418826999998
_cell_angle_beta 60.000020160000005
_cell_angle_gamma 117.22412718999999
_space... | data_image0
_chemical_formula_structural Cr4O6
_chemical_formula_sum "Cr4 O6"
_cell_length_a 5.05742377
_cell_length_b 5.52757376
_cell_length_c 5.05742872
_cell_angle_alpha 117.22418826999998
_cell_angle_beta 60.000020160000005
_cell_angle_gamma 117.22412718999999
_space... |
MoveSelectedAtomsAction | 2c176768-c4b8-418c-aa99-5d65ea83d89b | mp-1182237 | Move atoms at indices [4, 5] by [-0.74 2.024 -1.485] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Cl2O6
_chemical_formula_sum "Ba2 Cl2 O6"
_cell_length_a 4.080162
_cell_length_b 4.089748
_cell_length_c 12.11870887
_cell_angle_alpha 89.76972807
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Ba2Cl2O6
_chemical_formula_sum "Ba2 Cl2 O6"
_cell_length_a 4.080162
_cell_length_b 4.089748
_cell_length_c 12.11870887
_cell_angle_alpha 89.76972807
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
MoveSelectedAtomsAction | 5caabaf4-78bd-440a-b746-a3d2bd493a45 | mp-1178874 | Move atoms at indices [12, 25, 22, 3, 13, 18, 29, 11, 27] by [ 1.373 -0.996 0.67 ] angstrom in the cif file. | data_image0
_chemical_formula_structural V6H6O18
_chemical_formula_sum "V6 H6 O18"
_cell_length_a 5.0456714
_cell_length_b 8.772322
_cell_length_c 7.99829471
_cell_angle_alpha 90.0
_cell_angle_beta 105.06244997
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural V6H6O18
_chemical_formula_sum "V6 H6 O18"
_cell_length_a 5.0456714
_cell_length_b 8.772322
_cell_length_c 7.99829471
_cell_angle_alpha 90.0
_cell_angle_beta 105.06244997
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveSelectedAtomsAction | a1f0b375-6ee9-4897-8cd8-47f1f25196a2 | mp-1191760 | Move atoms at indices [20, 7, 17, 15, 2, 18, 10, 22, 14, 24, 19, 21, 1, 3, 23, 8, 4, 16, 6, 13, 0, 5, 12, 9] by [3.488 0.185 4.805] angstrom in the cif file. | data_image0
_chemical_formula_structural Na5V2P3O15
_chemical_formula_sum "Na5 V2 P3 O15"
_cell_length_a 5.22719757
_cell_length_b 6.361366
_cell_length_c 10.65333373
_cell_angle_alpha 72.62873264
_cell_angle_beta 89.65477152999999
_cell_angle_gamma 88.84362522
_space_gro... | data_image0
_chemical_formula_structural Na5V2P3O15
_chemical_formula_sum "Na5 V2 P3 O15"
_cell_length_a 5.22719757
_cell_length_b 6.361366
_cell_length_c 10.65333373
_cell_angle_alpha 72.62873264
_cell_angle_beta 89.65477152999999
_cell_angle_gamma 88.84362522
_space_gro... |
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