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 |
|---|---|---|---|---|---|
MoveAroundAtomAction | 2d9c378f-f341-421f-9347-0ab3917fedb8 | mp-1197733 | Move all surrounding atoms within 2.104 angstrom around the center atom at index 44 by [ 2.127 -0.324 -5.28 ] 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... |
MoveAroundAtomAction | 033c7450-48a8-4c94-8159-4a26013e606c | mp-736227 | Move all surrounding atoms within 2.056 angstrom around the center atom at index 28 by [-3.261 -1.839 3.591] 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_... |
MoveAroundAtomAction | 794a850f-da4e-4927-9396-7046f11118c7 | mp-1049235 | Move all surrounding atoms within 3.21 angstrom around the center atom at index 0 by [-0.514 -2.978 0.146] 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... |
MoveAroundAtomAction | 539344b5-f97c-401e-88e4-16840d4303c8 | mp-1177049 | Move all surrounding atoms within 3.494 angstrom around the center atom at index 38 by [-1.011 -0.453 0.066] 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... |
MoveAroundAtomAction | 51485150-9085-461a-876b-21c804681627 | mp-2715503 | Move all surrounding atoms within 2.695 angstrom around the center atom at index 61 by [-0.078 -2.224 -3.881] 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... |
MoveAroundAtomAction | 57cc5f34-5166-4e89-8846-4a8612016327 | mp-12885 | Move all surrounding atoms within 3.608 angstrom around the center atom at index 2 by [-1.404 1.65 0.71 ] 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... |
MoveAroundAtomAction | 3621d167-5b94-4147-ad3a-4a896c90c1ee | mp-540706 | Move all surrounding atoms within 2.721 angstrom around the center atom at index 0 by [1.362 3.178 2.479] 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... |
MoveAroundAtomAction | cc43ae97-da42-4272-bbdc-dd617c38db52 | mp-1588 | Move all surrounding atoms within 3.999 angstrom around the center atom at index 17 by [-0.163 0.052 2.937] 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... |
MoveAroundAtomAction | 7a48e2b8-ce7c-4bd5-9ade-e29c1b556554 | mp-1219046 | Move all surrounding atoms within 3.43 angstrom around the center atom at index 12 by [ 3.932 -0.097 -0.565] 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... |
MoveAroundAtomAction | e73094d4-489e-4f7a-86ea-036cc76cfd97 | mp-1177331 | Move all surrounding atoms within 2.625 angstrom around the center atom at index 1 by [ 2.226 -1.422 -2.159] 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... |
MoveAroundAtomAction | 077ae09a-3eea-4bbc-ab5e-ec3ea9e52574 | mp-1028157 | Move all surrounding atoms within 3.848 angstrom around the center atom at index 4 by [ 1.122 0.65 -0.422] 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... |
MoveAroundAtomAction | c4628c1c-6d89-400c-b7f0-267dece723da | mp-556659 | Move all surrounding atoms within 3.336 angstrom around the center atom at index 34 by [ 1.383 -1.482 0.078] 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 ... |
MoveAroundAtomAction | bf766417-0904-45ea-9443-849066c1c1c1 | mp-1245478 | Move all surrounding atoms within 3.659 angstrom around the center atom at index 10 by [-0.48 3.183 -0.074] 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_... |
MoveAroundAtomAction | ea7b5aea-d3df-4629-9f26-5395fcdc7bcd | mp-1177387 | Move all surrounding atoms within 1.562 angstrom around the center atom at index 51 by [ 1.854 -2.666 3.033] angstrom in the cif file. | 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... |
MoveAroundAtomAction | 9824252c-ec00-4949-86b3-bc3703b84598 | mp-753678 | Move all surrounding atoms within 2.507 angstrom around the center atom at index 17 by [3.375 1.076 0.223] 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 "... |
MoveAroundAtomAction | 40f9c07f-ab71-48ee-bdc0-2ff1edf48f12 | mp-1522146 | Move all surrounding atoms within 3.723 angstrom around the center atom at index 39 by [2.243 1.936 0.194] 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... |
MoveAroundAtomAction | 70fa561f-e4e5-4a48-9d0f-da44a580aa39 | mp-1111777 | Move all surrounding atoms within 3.494 angstrom around the center atom at index 8 by [-0.039 4.956 4.163] 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... |
MoveAroundAtomAction | 1746b5bf-5d06-48bf-bc9e-f5015fd96ad6 | mp-760791 | Move all surrounding atoms within 3.262 angstrom around the center atom at index 47 by [ 2.535 -1.395 -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... |
MoveAroundAtomAction | 6c57e75d-410d-4952-b51d-a700ef916637 | mp-1236434 | Move all surrounding atoms within 3.015 angstrom around the center atom at index 11 by [-0.047 -1.186 -1.436] 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... |
MoveAroundAtomAction | 088e5bc5-3226-4d20-881e-629e5a1a18bc | mp-766011 | Move all surrounding atoms within 2.897 angstrom around the center atom at index 4 by [-2.997 2.735 2.818] 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.... |
MoveAroundAtomAction | 1d02f2fa-11d1-4672-8787-f6863e1bede5 | mp-1193261 | Move all surrounding atoms within 2.215 angstrom around the center atom at index 26 by [-3.043 0.144 -4.172] 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_... |
MoveAroundAtomAction | b46f27a9-ff64-47fc-9483-165d75c1830b | mp-600154 | Move all surrounding atoms within 1.106 angstrom around the center atom at index 35 by [-1.714 -3.166 0.831] 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... |
MoveAroundAtomAction | 4344b5a5-0e8c-4eaa-88b4-a6efd78455a3 | mp-1173945 | Move all surrounding atoms within 2.373 angstrom around the center atom at index 4 by [-1.68 -0.749 0.98 ] 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... |
MoveAroundAtomAction | da3c9d3c-e842-40ab-b309-a9848a825f0e | mp-1110982 | Move all surrounding atoms within 2.405 angstrom around the center atom at index 7 by [ 1.799 -0.125 -0.379] 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... |
MoveAroundAtomAction | 291f78c1-3195-417c-a6b1-4e27926712fe | mp-1034441 | Move all surrounding atoms within 2.12 angstrom around the center atom at index 14 by [ 1.835 -1.267 -0.286] 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... |
MoveAroundAtomAction | dcb4d82c-d537-48ec-8a96-201262623ae6 | mp-18288 | Move all surrounding atoms within 3.878 angstrom around the center atom at index 15 by [-0.04 -0.721 2.221] 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... |
MoveAroundAtomAction | 90005242-1c69-4745-9a5e-42d4ad975e55 | mp-1520090 | Move all surrounding atoms within 2.736 angstrom around the center atom at index 11 by [ 0.462 1.205 -0.139] 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... |
MoveAroundAtomAction | a0a234eb-da0c-4cd1-a3ce-84fe15bb3f72 | mp-1100809 | Move all surrounding atoms within 3.163 angstrom around the center atom at index 24 by [ 4.157 -0.626 0.295] 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_... |
MoveAroundAtomAction | 60eba8fe-e32a-43a6-ac4e-1fea34d9c0d7 | mp-1030723 | Move all surrounding atoms within 3.324 angstrom around the center atom at index 3 by [-0.702 2.357 -0.8 ] 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... |
MoveAroundAtomAction | 4a27cb14-a689-45f2-936c-ca375de0f298 | mp-1195679 | Move all surrounding atoms within 3.77 angstrom around the center atom at index 36 by [ 1.563 0.92 -1.219] 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... |
MoveAroundAtomAction | 1f5d3f55-4300-4c3f-9f0b-1dfc00bff2b5 | mp-3855 | Move all surrounding atoms within 2.324 angstrom around the center atom at index 7 by [ 0.839 -1.315 -0.653] 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 ... |
MoveAroundAtomAction | 0bbe04a5-a54e-4554-ab26-8442377faf62 | mp-1224658 | Move all surrounding atoms within 3.871 angstrom around the center atom at index 13 by [-2.001 1.79 -5.224] 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 ... |
MoveAroundAtomAction | c210ce6b-c89c-4fc2-b7aa-2a27d70a7f8a | mp-765689 | Move all surrounding atoms within 3.305 angstrom around the center atom at index 26 by [ 0.004 -2.546 0.411] 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
... |
MoveAroundAtomAction | b89c67a1-2b8b-4001-8e0b-3f6f0b7ac458 | mp-628715 | Move all surrounding atoms within 3.583 angstrom around the center atom at index 12 by [-1.221 0.92 0.426] 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"... |
MoveAroundAtomAction | 30cb5f12-3298-4352-a4de-a5dc3630e4e0 | mp-510604 | Move all surrounding atoms within 2.643 angstrom around the center atom at index 54 by [ 0.101 -0.24 -3.022] 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... |
MoveAroundAtomAction | dcac5aba-519c-4785-ac57-54ff7c76f5f9 | mp-1209619 | Move all surrounding atoms within 2.341 angstrom around the center atom at index 9 by [2.628 1.453 2.547] 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_... |
MoveAroundAtomAction | a81d689e-df13-4527-ae47-5299210ced79 | mp-1176176 | Move all surrounding atoms within 3.495 angstrom around the center atom at index 9 by [1.609 0.508 0.435] 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... |
MoveAroundAtomAction | 6924c98c-fc37-4d18-bbeb-ab080b6d22f7 | mp-1193514 | Move all surrounding atoms within 2.491 angstrom around the center atom at index 20 by [ 0.765 -1.414 1.642] 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... |
MoveAroundAtomAction | 2c168ee5-a2ec-42c7-be2d-a47b2fbf0dbb | mp-735491 | Move all surrounding atoms within 2.464 angstrom around the center atom at index 29 by [-0.103 0.292 -5.097] 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... |
MoveAroundAtomAction | 5d87eea4-fe20-495c-8a34-8863fecd4e98 | mp-28118 | Move all surrounding atoms within 3.823 angstrom around the center atom at index 9 by [-0.763 -0.767 0.287] 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... |
MoveAroundAtomAction | d01e6934-d302-44d1-8878-bcf1f5d7139b | mp-1201107 | Move all surrounding atoms within 2.522 angstrom around the center atom at index 12 by [-2.481 3.318 -1.506] angstrom in the cif file. | 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... |
MoveAroundAtomAction | 260f3eb0-54d0-49ff-a5c3-429456be64c3 | mp-2232505 | Move all surrounding atoms within 3.516 angstrom around the center atom at index 11 by [-2.949 -0.472 0.83 ] 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 "... |
MoveAroundAtomAction | 6eb851eb-3f40-4396-bfb9-6b9e16c94786 | mp-1205853 | Move all surrounding atoms within 3.309 angstrom around the center atom at index 0 by [ 0.232 -1.028 -2.689] 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... |
MoveAroundAtomAction | 52c1af1d-5f66-459b-b5b6-82087c76c69f | mp-636519 | Move all surrounding atoms within 2.792 angstrom around the center atom at index 12 by [ 0.48 -0.53 -2.315] 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_... |
MoveAroundAtomAction | ea2b8bb8-1f4c-4d9c-9b97-bcfea7b4305d | mp-20268 | Move all surrounding atoms within 3.23 angstrom around the center atom at index 4 by [ 0.579 -1.788 1.117] 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
... |
MoveAroundAtomAction | 9d894db8-c9c2-43fc-99a8-cc7c38a40336 | mp-2235569 | Move all surrounding atoms within 2.862 angstrom around the center atom at index 7 by [-1.103 0.74 1.191] 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... |
MoveAroundAtomAction | de71a974-66f6-4517-8629-f73c110b140e | mp-1028272 | Move all surrounding atoms within 3.333 angstrom around the center atom at index 15 by [ 0.798 -0.988 0.214] 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... |
MoveAroundAtomAction | 03369008-b5b3-4add-9e92-0ef5642e50a1 | mp-1238117 | Move all surrounding atoms within 2.222 angstrom around the center atom at index 17 by [-2.594 -2.355 -2.087] 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... |
MoveAroundAtomAction | 9f26d77b-9d03-4355-80f8-0358a3d9e42c | mp-608551 | Move all surrounding atoms within 3.075 angstrom around the center atom at index 12 by [ 0.794 -0.953 -1.315] 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_... |
MoveAroundAtomAction | 7ab0c696-6c78-4c68-bab3-0a0735612cd4 | mp-1219192 | Move all surrounding atoms within 3.753 angstrom around the center atom at index 10 by [2.807 0.225 0.113] 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... |
MoveAroundAtomAction | 664e52e7-58e0-4421-a0c5-9efcd6a68625 | mp-1517276 | Move all surrounding atoms within 3.167 angstrom around the center atom at index 4 by [ 1.857 0.721 -0.4 ] 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... |
MoveAroundAtomAction | f3a5af40-55cd-4fb7-9490-2e147cc186cf | mp-1246768 | Move all surrounding atoms within 2.814 angstrom around the center atom at index 4 by [ 0.974 -0.124 0.46 ] 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... |
MoveAroundAtomAction | 2dafa1e9-7f6c-4217-9608-30a85dc868da | mp-755923 | Move all surrounding atoms within 3.341 angstrom around the center atom at index 12 by [ 0.544 -4.374 0.639] 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
_... |
MoveAroundAtomAction | 129ee6b9-5527-42a4-8346-35eedf18600d | mp-1195679 | Move all surrounding atoms within 3.606 angstrom around the center atom at index 12 by [-1.065 3.919 2.847] 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... |
MoveAroundAtomAction | 104740ce-a1ab-4d05-a07d-397423828fae | mp-1035335 | Move all surrounding atoms within 3.607 angstrom around the center atom at index 6 by [-3.539 0.875 2.259] 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 ... |
MoveAroundAtomAction | a4a3d0a1-bb29-4649-8712-72fe76ac6052 | mp-569221 | Move all surrounding atoms within 1.946 angstrom around the center atom at index 23 by [ 1.661 -1.307 2.775] 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 ... |
MoveAroundAtomAction | 74e27f76-5b9d-4142-b154-a6c325476c0d | mp-1522640 | Move all surrounding atoms within 3.245 angstrom around the center atom at index 0 by [ 0.24 -3.743 4.035] 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... |
MoveAroundAtomAction | 9ba5c28a-7049-4325-bf08-a8a0be032e52 | mp-1239174 | Move all surrounding atoms within 2.777 angstrom around the center atom at index 18 by [-0.569 -4.976 -0.519] 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... |
MoveAroundAtomAction | fe7f7e31-6005-4c01-bd36-b87fead17fec | mp-29429 | Move all surrounding atoms within 3.621 angstrom around the center atom at index 15 by [-0.941 2.719 2.454] 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"
_... |
MoveAroundAtomAction | 95a9abba-e081-492d-9711-cd7a34e0aacc | mp-1022061 | Move all surrounding atoms within 3.471 angstrom around the center atom at index 11 by [-1.026 2.965 -0.447] 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_... |
MoveAroundAtomAction | 217b02e4-68d9-46b5-97ac-545a5a95c0c9 | mp-866339 | Move all surrounding atoms within 2.446 angstrom around the center atom at index 27 by [0.278 1.477 0.999] 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... |
MoveAroundAtomAction | 1df0548b-13b3-4a26-8a4a-0c0bc969f473 | mp-849652 | Move all surrounding atoms within 3.161 angstrom around the center atom at index 5 by [2.514 0.139 1.274] 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... |
MoveAroundAtomAction | 5778ac61-33ac-471e-bf36-0114129b31d8 | mp-2228508 | Move all surrounding atoms within 2.987 angstrom around the center atom at index 11 by [2.107 1.561 3.802] 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... |
MoveAroundAtomAction | 98cdfaa9-8e5f-4403-b2ba-6c52cd344c6f | mp-731924 | Move all surrounding atoms within 3.184 angstrom around the center atom at index 4 by [-1.998 0.103 -1.824] 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... |
MoveAroundAtomAction | 7107309f-4b91-4812-b58e-23c6ebfe1d18 | mp-532384 | Move all surrounding atoms within 2.799 angstrom around the center atom at index 38 by [ 3.338 -0.718 2.851] 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
... |
MoveAroundAtomAction | d36f062e-773a-4ebe-bc3b-83df3c974910 | mp-558603 | Move all surrounding atoms within 2.538 angstrom around the center atom at index 20 by [-2.161 -2.324 -1.167] 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... |
MoveAroundAtomAction | 9e3ec059-2185-4233-b882-aa9c35531111 | mp-568053 | Move all surrounding atoms within 3.557 angstrom around the center atom at index 15 by [-2.157 0.273 -1.352] 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
_... |
MoveAroundAtomAction | 3773eb03-f2b7-4e58-92da-b146e66fe5d1 | mp-1220625 | Move all surrounding atoms within 3.712 angstrom around the center atom at index 0 by [ 1.891 -0.645 -1.808] 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_... |
MoveAroundAtomAction | 0c29e0ba-d1ca-454d-919f-6798ec25171d | mp-1035395 | Move all surrounding atoms within 3.665 angstrom around the center atom at index 29 by [-1.937 -0.089 -4.805] 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... |
MoveAroundAtomAction | 49bd9582-4ccf-4ab2-a9f8-e6453e394b6e | mp-771159 | Move all surrounding atoms within 2.993 angstrom around the center atom at index 25 by [ 0.04 -4.564 0.22 ] 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... |
MoveAroundAtomAction | fdfd3bcc-8842-49a0-a69c-e3ec2d6ced6f | mp-1198355 | Move all surrounding atoms within 2.527 angstrom around the center atom at index 65 by [-4.421 -3.353 -2.376] 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 "... |
MoveAroundAtomAction | c26ac83b-8f50-40b0-833c-316fbe6178a2 | mp-1199595 | Move all surrounding atoms within 3.577 angstrom around the center atom at index 11 by [ 1.17 -4.041 -0.464] 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... |
MoveAroundAtomAction | 301ce29e-20fa-4f57-94b4-d6d4dbf0193f | mp-28355 | Move all surrounding atoms within 3.658 angstrom around the center atom at index 15 by [2.755 0.383 2.879] 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... |
MoveAroundAtomAction | d1fc84d0-9c7a-4842-850b-ac76f565a200 | mp-1217055 | Move all surrounding atoms within 3.489 angstrom around the center atom at index 14 by [-0.854 -4.936 3.195] 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 ... |
MoveAroundAtomAction | b66cdee9-ba09-44b2-adbe-6b6ca6ba93ac | mp-753639 | Move all surrounding atoms within 3.744 angstrom around the center atom at index 12 by [-1.365 -1.064 2.637] 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 ... |
MoveAroundAtomAction | 19bd1f80-e805-41aa-b2d6-ff75338d7f08 | mp-861612 | Move all surrounding atoms within 3.393 angstrom around the center atom at index 11 by [ 0.422 -0.675 -2.042] 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 ... |
MoveAroundAtomAction | a334d4cb-43ba-4959-bceb-63d69f4778a7 | mp-1078353 | Move all surrounding atoms within 3.071 angstrom around the center atom at index 3 by [ 2.197 -1.509 -1.402] 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... |
MoveAroundAtomAction | 52f5d61a-48ee-46ed-90f2-09ff90c845f8 | mp-740718 | Move all surrounding atoms within 3.932 angstrom around the center atom at index 85 by [ 1.171 -4.047 -0.596] angstrom in the cif file. | 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"... |
MoveAroundAtomAction | 1a7b054d-eb80-4d14-8e5d-397226ef3913 | mp-1206019 | Move all surrounding atoms within 3.419 angstrom around the center atom at index 1 by [ 0.19 -0.14 1.337] 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... |
MoveAroundAtomAction | bc3baa9e-bb92-4ba4-ad54-610574e2b9ea | mp-1099219 | Move all surrounding atoms within 3.568 angstrom around the center atom at index 16 by [-0.756 -3.937 -1.162] 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... |
MoveAroundAtomAction | 5f4f3901-9d48-4fc5-becd-04e233f3718b | mp-1218673 | Move all surrounding atoms within 2.61 angstrom around the center atom at index 20 by [-0.485 -3.806 -0.255] 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... |
MoveAroundAtomAction | a68b949b-e0bb-45e9-a61e-f56da5b70c11 | mp-1176271 | Move all surrounding atoms within 2.984 angstrom around the center atom at index 21 by [-2.237 0.943 -0.058] 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... |
MoveAroundAtomAction | 11861715-2b9a-42af-bcb6-fd3daaefadc2 | mp-777649 | Move all surrounding atoms within 2.744 angstrom around the center atom at index 35 by [ 0.587 3.194 -0.257] 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
_... |
MoveAroundAtomAction | fb8b4577-58da-4d56-a7f9-403b5144de97 | mp-1522988 | Move all surrounding atoms within 3.545 angstrom around the center atom at index 6 by [ 1.935 -2.269 0.343] 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... |
MoveAroundAtomAction | 9267a5d9-5806-4b62-928f-c889f23c9a3d | mp-608551 | Move all surrounding atoms within 3.89 angstrom around the center atom at index 4 by [-1.445 0.591 0.642] 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_... |
MoveAroundAtomAction | 0e68c222-2c79-4ebd-ac8c-3e7e533ee854 | mp-995217 | Move all surrounding atoms within 3.657 angstrom around the center atom at index 5 by [ 0.931 -0.869 2.547] 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_... |
MoveAroundAtomAction | 7501ac54-34f5-4cc9-baf4-ea3822b6692c | mp-757370 | Move all surrounding atoms within 2.208 angstrom around the center atom at index 20 by [-1.382 0.946 2.699] 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... |
MoveAroundAtomAction | 4917c50e-56a3-490c-9623-aecfd9d77147 | mp-556670 | Move all surrounding atoms within 3.135 angstrom around the center atom at index 6 by [ 0.112 0.266 -4.76 ] 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... |
MoveAroundAtomAction | c7262b0b-ee70-4761-b823-6d82ca04912c | mp-1210531 | Move all surrounding atoms within 2.759 angstrom around the center atom at index 3 by [-3.68 0.291 -3.344] 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... |
MoveAroundAtomAction | d9dff7f1-a3f1-4d43-b742-f4476eef1a2f | mp-1177033 | Move all surrounding atoms within 3.205 angstrom around the center atom at index 14 by [-6.21 0.733 -3.699] angstrom in the cif file. | 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... |
MoveAroundAtomAction | 65a49ae0-c89a-414f-97b7-31dfa40bd881 | mp-1224634 | Move all surrounding atoms within 3.051 angstrom around the center atom at index 36 by [-3.131 2.961 5.929] 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... |
MoveAroundAtomAction | 5bbd5218-460a-4a28-943f-06a652acb416 | mp-781014 | Move all surrounding atoms within 3.774 angstrom around the center atom at index 26 by [-0.621 1.759 0.322] 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... |
MoveAroundAtomAction | fd9353cd-3712-4b91-aaec-819b79645c4f | mp-1199930 | Move all surrounding atoms within 2.379 angstrom around the center atom at index 26 by [ 3.068 -2.707 2.589] 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... |
MoveAroundAtomAction | 116545a3-89e5-49cb-bf17-639667730432 | mp-1999 | Move all surrounding atoms within 2.716 angstrom around the center atom at index 12 by [ 1.458 -0.309 6.885] 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... |
MoveAroundAtomAction | ef0cbcaf-6d19-4646-b6ac-203770367803 | mp-753290 | Move all surrounding atoms within 2.754 angstrom around the center atom at index 7 by [ 0.121 0.286 -0.968] 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... |
MoveAroundAtomAction | 207a43ac-1553-4b5a-b4ad-084441172d25 | mp-1201334 | Move all surrounding atoms within 2.06 angstrom around the center atom at index 12 by [-1.475 -0.662 -0.192] 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... |
MoveAroundAtomAction | 85cd97a4-a390-4ca0-9fc3-96392a59ceba | mp-753829 | Move all surrounding atoms within 3.458 angstrom around the center atom at index 0 by [-3.603 -0.125 -0.671] 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... |
MoveAroundAtomAction | a120d185-97ea-418a-9868-6f1c2df648fc | mp-1182237 | Move all surrounding atoms within 3.603 angstrom around the center atom at index 5 by [ 2.657 -1.633 0.927] 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... |
MoveAroundAtomAction | d78233aa-ffe4-4dcd-88c9-05fc83b375f6 | mp-1178874 | Move all surrounding atoms within 3.735 angstrom around the center atom at index 19 by [-1.574 -0.588 0.956] 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... |
MoveAroundAtomAction | 893b511f-4480-45c9-8757-29c84284d282 | mp-1191760 | Move all surrounding atoms within 2.71 angstrom around the center atom at index 12 by [-1.439 2.544 -3.13 ] 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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