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 | ce7d46c2-2130-4fa9-a5a5-9e97cbf998db | mp-1189409 | Move atoms at indices [1, 17] by [-0.115 1.44 -0.552] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb10Si6B2
_chemical_formula_sum "Tb10 Si6 B2"
_cell_length_a 8.59632043
_cell_length_b 8.59632043
_cell_length_c 6.377204
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000334
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Tb10Si6B2
_chemical_formula_sum "Tb10 Si6 B2"
_cell_length_a 8.59632043
_cell_length_b 8.59632043
_cell_length_c 6.377204
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000334
_space_group_name_H-M_alt "P 1... |
MoveSelectedAtomsAction | 3182553d-b531-42f7-9af1-c54f665f389a | mp-1207606 | Move atoms at indices [13, 18, 9, 6, 2, 15, 4, 16, 10, 11, 1, 19, 14] by [ 2.76 2.746 -0.08 ] angstrom in the cif file. | data_image0
_chemical_formula_structural YFe3B4O12
_chemical_formula_sum "Y1 Fe3 B4 O12"
_cell_length_a 6.12433214
_cell_length_b 6.124332140000001
_cell_length_c 6.12433292
_cell_angle_alpha 103.91920561999999
_cell_angle_beta 103.91920562
_cell_angle_gamma 103.91920774
... | data_image0
_chemical_formula_structural YFe3B4O12
_chemical_formula_sum "Y1 Fe3 B4 O12"
_cell_length_a 6.12433214
_cell_length_b 6.124332140000001
_cell_length_c 6.12433292
_cell_angle_alpha 103.91920561999999
_cell_angle_beta 103.91920562
_cell_angle_gamma 103.91920774
... |
MoveSelectedAtomsAction | 6fb0b671-f846-489e-8be8-44f46754abd3 | mp-2228450 | Move atoms at indices [11, 9, 6, 10, 3, 4, 13] by [-0.065 0.479 0.834] angstrom in the cif file. | data_image0
_chemical_formula_structural MgMn3Cd2O8
_chemical_formula_sum "Mg1 Mn3 Cd2 O8"
_cell_length_a 5.33675026
_cell_length_b 6.23243229
_cell_length_c 5.85035914
_cell_angle_alpha 108.86450955000001
_cell_angle_beta 116.33163397
_cell_angle_gamma 89.52435890000001
... | data_image0
_chemical_formula_structural MgMn3Cd2O8
_chemical_formula_sum "Mg1 Mn3 Cd2 O8"
_cell_length_a 5.33675026
_cell_length_b 6.23243229
_cell_length_c 5.85035914
_cell_angle_alpha 108.86450955000001
_cell_angle_beta 116.33163397
_cell_angle_gamma 89.52435890000001
... |
MoveSelectedAtomsAction | 16810b92-3cda-403a-a2a9-a4cfcd78c8be | mp-1193190 | Move atoms at indices [8, 3, 20, 2, 18, 11, 19, 5, 1, 4] by [1.207 2.204 0.91 ] angstrom in the cif file. | data_image0
_chemical_formula_structural K4Cr6O18
_chemical_formula_sum "K4 Cr6 O18"
_cell_length_a 6.003451
_cell_length_b 8.22584406
_cell_length_c 9.46242053
_cell_angle_alpha 114.70555641999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4Cr6O18
_chemical_formula_sum "K4 Cr6 O18"
_cell_length_a 6.003451
_cell_length_b 8.22584406
_cell_length_c 9.46242053
_cell_angle_alpha 114.70555641999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 8baa9b36-dd1b-4813-bdc3-f3288546d179 | mp-1037796 | Move atoms at indices [11, 36, 42, 37, 35, 61, 56, 1, 9, 21, 3, 57, 63, 49, 44, 32, 62, 23, 20, 39, 25, 4] by [2.952 0.453 0.046] angstrom in the cif file. | data_image0
_chemical_formula_structural CaMg30TiO32
_chemical_formula_sum "Ca1 Mg30 Ti1 O32"
_cell_length_a 8.583183
_cell_length_b 8.583183
_cell_length_c 8.578049
_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 CaMg30TiO32
_chemical_formula_sum "Ca1 Mg30 Ti1 O32"
_cell_length_a 8.583183
_cell_length_b 8.583183
_cell_length_c 8.578049
_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 | 8b0a6409-e956-4b8e-b097-6ab0ef088740 | mp-1213522 | Move atoms at indices [67, 98, 51, 33, 79, 93, 57, 36, 25, 32, 89, 8, 24, 59, 0, 28, 29, 40, 11, 95, 72, 19, 5, 20, 41, 99, 66] by [-0.049 1.573 -1.797] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs4Rb4Mo12P12O68
_chemical_formula_sum "Cs4 Rb4 Mo12 P12 O68"
_cell_length_a 9.711585
_cell_length_b 10.998928
_cell_length_c 16.02131593
_cell_angle_alpha 68.56286102
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Cs4Rb4Mo12P12O68
_chemical_formula_sum "Cs4 Rb4 Mo12 P12 O68"
_cell_length_a 9.711585
_cell_length_b 10.998928
_cell_length_c 16.02131593
_cell_angle_alpha 68.56286102
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
MoveSelectedAtomsAction | 7c713ab0-6194-4a29-8402-a68b838efcab | mp-25954 | Move atoms at indices [1, 9, 2, 11, 21, 20, 33, 23] by [-1.407 2.512 3.031] angstrom in the cif file. | data_image0
_chemical_formula_structural Co6P6O24
_chemical_formula_sum "Co6 P6 O24"
_cell_length_a 7.44144799
_cell_length_b 7.441447990000001
_cell_length_c 9.372664
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999993
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Co6P6O24
_chemical_formula_sum "Co6 P6 O24"
_cell_length_a 7.44144799
_cell_length_b 7.441447990000001
_cell_length_c 9.372664
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999993
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | e71cd656-9651-4ae3-b183-7d10d488de09 | mp-15203 | Move atoms at indices [20, 10, 66, 78, 41, 63, 23, 7, 30, 55, 50, 5, 18, 25, 3, 8, 74, 40, 17, 29, 54, 42, 67, 59, 70, 24, 21, 80] by [-0.694 -0.407 -0.707] angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Ca24W8N32O6
_chemical_formula_sum "Li12 Ca24 W8 N32 O6"
_cell_length_a 11.40762068
_cell_length_b 11.407620390000002
_cell_length_c 11.407621
_cell_angle_alpha 109.47121994000001
_cell_angle_beta 109.47121942999999
_cell_angle_gamm... | data_image0
_chemical_formula_structural Li12Ca24W8N32O6
_chemical_formula_sum "Li12 Ca24 W8 N32 O6"
_cell_length_a 11.40762068
_cell_length_b 11.407620390000002
_cell_length_c 11.407621
_cell_angle_alpha 109.47121994000001
_cell_angle_beta 109.47121942999999
_cell_angle_gamm... |
MoveSelectedAtomsAction | 0272afb2-84e5-45da-9270-ff914cfbf818 | mp-1238897 | Move atoms at indices [10, 18, 0, 4, 19, 5, 22, 23] by [ 2.041 -1.553 -0.069] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti4Cr4Ag4S16
_chemical_formula_sum "Ti4 Cr4 Ag4 S16"
_cell_length_a 6.475615
_cell_length_b 7.69109295
_cell_length_c 12.85135469
_cell_angle_alpha 98.47946294
_cell_angle_beta 95.52817443
_cell_angle_gamma 89.94978949999998
_space... | data_image0
_chemical_formula_structural Ti4Cr4Ag4S16
_chemical_formula_sum "Ti4 Cr4 Ag4 S16"
_cell_length_a 6.475615
_cell_length_b 7.69109295
_cell_length_c 12.85135469
_cell_angle_alpha 98.47946294
_cell_angle_beta 95.52817443
_cell_angle_gamma 89.94978949999998
_space... |
MoveSelectedAtomsAction | 35a9fe9b-ff07-4820-b28e-ea891c8de2c3 | mp-1182197 | Move atoms at indices [7, 4, 16, 11, 2, 12, 8, 3, 0, 5] by [ 3.746 1.577 -3.556] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd4Mn4O12
_chemical_formula_sum "Nd4 Mn4 O12"
_cell_length_a 14.392943
_cell_length_b 14.078227
_cell_length_c 19.90936595
_cell_angle_alpha 87.88079187
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Nd4Mn4O12
_chemical_formula_sum "Nd4 Mn4 O12"
_cell_length_a 14.392943
_cell_length_b 14.078227
_cell_length_c 19.90936595
_cell_angle_alpha 87.88079187
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveSelectedAtomsAction | a3af2e2b-013c-487e-9c8f-f5a94f18fca2 | mp-2240397 | Move atoms at indices [9] by [1.474 0.703 1.877] angstrom in the cif file. | data_image0
_chemical_formula_structural MgCd2Bi2O6
_chemical_formula_sum "Mg1 Cd2 Bi2 O6"
_cell_length_a 5.56458951
_cell_length_b 7.0200275
_cell_length_c 5.771075549999999
_cell_angle_alpha 63.13246041999998
_cell_angle_beta 117.61251132
_cell_angle_gamma 114.96516471
... | data_image0
_chemical_formula_structural MgCd2Bi2O6
_chemical_formula_sum "Mg1 Cd2 Bi2 O6"
_cell_length_a 5.56458951
_cell_length_b 7.0200275
_cell_length_c 5.771075549999999
_cell_angle_alpha 63.13246041999998
_cell_angle_beta 117.61251132
_cell_angle_gamma 114.96516471
... |
MoveSelectedAtomsAction | 34283a8e-0e7f-4414-9596-f8d2cb67cdc1 | mp-38090 | Move atoms at indices [21, 11, 17, 18, 32, 6, 2, 8, 30] by [ 5.143 -0.501 -0.669] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe12Cu6O24
_chemical_formula_sum "Fe12 Cu6 O24"
_cell_length_a 6.05186412
_cell_length_b 6.05186412
_cell_length_c 14.709387490000001
_cell_angle_alpha 87.92009041
_cell_angle_beta 87.92009041
_cell_angle_gamma 59.09715076999999
_s... | data_image0
_chemical_formula_structural Fe12Cu6O24
_chemical_formula_sum "Fe12 Cu6 O24"
_cell_length_a 6.05186412
_cell_length_b 6.05186412
_cell_length_c 14.709387490000001
_cell_angle_alpha 87.92009041
_cell_angle_beta 87.92009041
_cell_angle_gamma 59.09715076999999
_s... |
MoveSelectedAtomsAction | 2c1410c1-9811-44a1-a53a-f673668698ef | mp-758717 | Move atoms at indices [23, 34, 9, 36, 19, 4, 26, 13, 7, 3, 11, 10, 29, 35, 0, 14, 32, 28, 16] by [ 2.42 0.365 -4.127] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Co4C8O24
_chemical_formula_sum "Li2 Co4 C8 O24"
_cell_length_a 9.550868
_cell_length_b 7.455839
_cell_length_c 8.43336493
_cell_angle_alpha 70.41666927999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Li2Co4C8O24
_chemical_formula_sum "Li2 Co4 C8 O24"
_cell_length_a 9.550868
_cell_length_b 7.455839
_cell_length_c 8.43336493
_cell_angle_alpha 70.41666927999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveSelectedAtomsAction | 61641135-846d-4226-89f4-5b2a8d86b97f | mp-1227255 | Move atoms at indices [8, 4, 3, 1, 0, 10, 6, 9, 7, 5] by [1.307 1.576 0.355] angstrom in the cif file. | data_image0
_chemical_formula_structural CaCeV2O8
_chemical_formula_sum "Ca1 Ce1 V2 O8"
_cell_length_a 6.07941717
_cell_length_b 6.07941717
_cell_length_c 6.07941717
_cell_angle_alpha 106.24416571
_cell_angle_beta 106.24416571
_cell_angle_gamma 116.1381804
_space_group_na... | data_image0
_chemical_formula_structural CaCeV2O8
_chemical_formula_sum "Ca1 Ce1 V2 O8"
_cell_length_a 6.07941717
_cell_length_b 6.07941717
_cell_length_c 6.07941717
_cell_angle_alpha 106.24416571
_cell_angle_beta 106.24416571
_cell_angle_gamma 116.1381804
_space_group_na... |
MoveSelectedAtomsAction | f7c51171-9fc4-4ffb-a465-abf38c7dea2d | mp-8597 | Move atoms at indices [24, 12, 1, 6, 19, 14, 10, 20, 9, 23, 29, 16, 13, 11, 25, 4, 3, 22, 5, 26, 21, 18, 30, 31, 28, 15, 7] by [ 0.121 -1.058 0.94 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Sc8B16C8
_chemical_formula_sum "Sc8 B16 C8"
_cell_length_a 6.645555
_cell_length_b 6.645555
_cell_length_c 6.792191
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group... | data_image0
_chemical_formula_structural Sc8B16C8
_chemical_formula_sum "Sc8 B16 C8"
_cell_length_a 6.645555
_cell_length_b 6.645555
_cell_length_c 6.792191
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group... |
MoveSelectedAtomsAction | 25185829-e693-4b04-99b5-7d928b5341ae | mp-975336 | Move atoms at indices [7, 8, 1, 0, 13] by [ 0.941 -1.069 -2.049] angstrom in the cif file. | data_image0
_chemical_formula_structural K4C4S4N4
_chemical_formula_sum "K4 C4 S4 N4"
_cell_length_a 6.479805
_cell_length_b 6.515581
_cell_length_c 11.139016
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural K4C4S4N4
_chemical_formula_sum "K4 C4 S4 N4"
_cell_length_a 6.479805
_cell_length_b 6.515581
_cell_length_c 11.139016
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... |
MoveSelectedAtomsAction | 3be823a6-6106-4651-b699-f43925be9a2e | mp-1200515 | Move atoms at indices [15, 3, 33, 26, 32, 30, 2, 0, 1, 23, 27, 35, 9, 5, 13, 16, 21, 29, 19, 11, 20, 18, 10, 17, 12, 4, 24, 14] by [ 0.886 -0.392 -3.08 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb20Si16
_chemical_formula_sum "Tb20 Si16"
_cell_length_a 7.48899009
_cell_length_b 7.70841404
_cell_length_c 14.64288919
_cell_angle_alpha 90.00000779999999
_cell_angle_beta 90.00552247
_cell_angle_gamma 89.99549034
_space_group_n... | data_image0
_chemical_formula_structural Tb20Si16
_chemical_formula_sum "Tb20 Si16"
_cell_length_a 7.48899009
_cell_length_b 7.70841404
_cell_length_c 14.64288919
_cell_angle_alpha 90.00000779999999
_cell_angle_beta 90.00552247
_cell_angle_gamma 89.99549034
_space_group_n... |
MoveSelectedAtomsAction | f563cb6a-1341-472c-bd63-4628982ea53a | mp-25278 | Move atoms at indices [28, 2, 24, 18, 14, 32, 6, 12, 23, 10, 21, 15, 9, 19, 3, 13, 22, 16, 26, 7, 30, 8, 1, 0, 33, 5, 25, 27] by [-3.239 -3.837 0.499] angstrom in the cif file. | data_image0
_chemical_formula_structural V4S6O24
_chemical_formula_sum "V4 S6 O24"
_cell_length_a 7.71633737
_cell_length_b 7.71633737
_cell_length_c 8.66907844
_cell_angle_alpha 69.74449301
_cell_angle_beta 69.74449301
_cell_angle_gamma 64.83981922
_space_group_name_H-M_... | data_image0
_chemical_formula_structural V4S6O24
_chemical_formula_sum "V4 S6 O24"
_cell_length_a 7.71633737
_cell_length_b 7.71633737
_cell_length_c 8.66907844
_cell_angle_alpha 69.74449301
_cell_angle_beta 69.74449301
_cell_angle_gamma 64.83981922
_space_group_name_H-M_... |
MoveSelectedAtomsAction | 19d662f4-dbdd-4b9b-a793-b0e752bcb28b | mp-1193266 | Move atoms at indices [3, 25, 4, 12, 13, 10] by [ 0.512 -1.567 1.224] angstrom in the cif file. | data_image0
_chemical_formula_structural Al2H16C6N2Cl4
_chemical_formula_sum "Al2 H16 C6 N2 Cl4"
_cell_length_a 7.72663858
_cell_length_b 8.14007427
_cell_length_c 8.848356060000002
_cell_angle_alpha 90.03241481
_cell_angle_beta 64.76788259
_cell_angle_gamma 68.08843374
_... | data_image0
_chemical_formula_structural Al2H16C6N2Cl4
_chemical_formula_sum "Al2 H16 C6 N2 Cl4"
_cell_length_a 7.72663858
_cell_length_b 8.14007427
_cell_length_c 8.848356060000002
_cell_angle_alpha 90.03241481
_cell_angle_beta 64.76788259
_cell_angle_gamma 68.08843374
_... |
MoveSelectedAtomsAction | 53db9dbf-432e-49ee-803a-72753aaf2865 | mp-755587 | Move atoms at indices [9, 2, 4] by [1.087 0.18 0.089] angstrom in the cif file. | data_image0
_chemical_formula_structural V4O6F2
_chemical_formula_sum "V4 O6 F2"
_cell_length_a 4.62679008
_cell_length_b 4.62679008
_cell_length_c 5.93686769
_cell_angle_alpha 89.99986978
_cell_angle_beta 90.00013022
_cell_angle_gamma 94.82482528
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural V4O6F2
_chemical_formula_sum "V4 O6 F2"
_cell_length_a 4.62679008
_cell_length_b 4.62679008
_cell_length_c 5.93686769
_cell_angle_alpha 89.99986978
_cell_angle_beta 90.00013022
_cell_angle_gamma 94.82482528
_space_group_name_H-M_al... |
MoveSelectedAtomsAction | 685c2e1f-23a2-42a7-8c77-3a0d429f0984 | mp-1103272 | Move atoms at indices [5, 6, 8, 10, 11] by [-2.227 -3.573 1.071] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr4Si4Ni4
_chemical_formula_sum "Zr4 Si4 Ni4"
_cell_length_a 3.79803846
_cell_length_b 6.46622311
_cell_length_c 7.25348711
_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 Zr4Si4Ni4
_chemical_formula_sum "Zr4 Si4 Ni4"
_cell_length_a 3.79803846
_cell_length_b 6.46622311
_cell_length_c 7.25348711
_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 | 64552dea-e9f0-4a64-abc5-4eef97156db1 | mp-563041 | Move atoms at indices [8, 13, 26, 32, 9, 2, 4, 17, 31, 36, 5, 6, 28, 20, 18, 15, 3, 7, 34, 14, 16, 38, 1, 35, 29, 41, 12, 37, 11, 39, 23, 22, 19, 21, 24, 0, 43, 40, 10, 30, 42, 27] by [-2.279 1.132 0.054] angstrom in the cif file. | data_image0
_chemical_formula_structural K2V6Cu10O26
_chemical_formula_sum "K2 V6 Cu10 O26"
_cell_length_a 6.151583
_cell_length_b 8.30599131
_cell_length_c 10.90224523
_cell_angle_alpha 97.90928123
_cell_angle_beta 92.74881973
_cell_angle_gamma 90.59062806
_space_group_n... | data_image0
_chemical_formula_structural K2V6Cu10O26
_chemical_formula_sum "K2 V6 Cu10 O26"
_cell_length_a 6.151583
_cell_length_b 8.30599131
_cell_length_c 10.90224523
_cell_angle_alpha 97.90928123
_cell_angle_beta 92.74881973
_cell_angle_gamma 90.59062806
_space_group_n... |
MoveSelectedAtomsAction | 4ee83890-74a3-4ac1-af9d-8171da1aea54 | mp-866709 | Move atoms at indices [18, 25, 9, 5, 2, 11, 3, 12, 19, 7, 22, 21, 13, 15, 16, 1] by [0.794 0.894 1.162] angstrom in the cif file. | data_image0
_chemical_formula_structural K4Cr2H4F16
_chemical_formula_sum "K4 Cr2 H4 F16"
_cell_length_a 8.101164
_cell_length_b 5.348595
_cell_length_c 8.42657027
_cell_angle_alpha 87.32804317
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural K4Cr2H4F16
_chemical_formula_sum "K4 Cr2 H4 F16"
_cell_length_a 8.101164
_cell_length_b 5.348595
_cell_length_c 8.42657027
_cell_angle_alpha 87.32804317
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveSelectedAtomsAction | e315b55e-642d-4e7f-8609-857cfa94482d | mp-756511 | Move atoms at indices [19, 5, 13, 14] by [-0.274 -0.624 2.899] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V4B4O16
_chemical_formula_sum "Li4 V4 B4 O16"
_cell_length_a 3.113953
_cell_length_b 9.087917
_cell_length_c 9.415044
_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 Li4V4B4O16
_chemical_formula_sum "Li4 V4 B4 O16"
_cell_length_a 3.113953
_cell_length_b 9.087917
_cell_length_c 9.415044
_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 | fd59cc5b-9b7e-4582-8a53-5269e8647428 | mp-1195233 | Move atoms at indices [15, 18, 80, 74, 81, 24, 31, 9, 32, 29, 57, 37, 44, 59, 79, 93, 4, 75, 11, 63, 13, 16, 0, 87, 6, 17, 92, 72, 52, 25, 61, 3, 14, 5, 33, 35, 27, 70, 28, 58, 30, 71, 82, 43, 26, 40, 41, 38, 21, 47, 20, 22, 83, 69, 1, 45, 89, 36, 76, 73, 42, 12, 54, 56, 19, 53, 86, 84, 85, 23, 78, 10, 51] by [-2.16 -... | data_image0
_chemical_formula_structural Al2Zn2B10H40C10N10O20
_chemical_formula_sum "Al2 Zn2 B10 H40 C10 N10 O20"
_cell_length_a 7.554322
_cell_length_b 9.3066998
_cell_length_c 13.97318333
_cell_angle_alpha 77.59534267
_cell_angle_beta 76.60262579
_cell_angle_gamma 68.03... | data_image0
_chemical_formula_structural Al2Zn2B10H40C10N10O20
_chemical_formula_sum "Al2 Zn2 B10 H40 C10 N10 O20"
_cell_length_a 7.554322
_cell_length_b 9.3066998
_cell_length_c 13.97318333
_cell_angle_alpha 77.59534267
_cell_angle_beta 76.60262579
_cell_angle_gamma 68.03... |
MoveSelectedAtomsAction | fd004ed6-24ed-4e9e-b70c-6980a41cb286 | mp-3855 | Move atoms at indices [7, 25, 6, 17, 22, 4, 11, 16, 15, 5] by [ 2.43 1.667 -0.153] 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 | 1f6c534b-28b2-4ef6-8430-5f4c50e5a363 | mp-771123 | Move atoms at indices [25, 28, 10, 20, 12, 22, 9, 14, 18, 17, 5, 11, 16, 29, 7] by [-2.673 1.079 -0.989] angstrom in the cif file. | data_image0
_chemical_formula_structural Sc6Fe6O18
_chemical_formula_sum "Sc6 Fe6 O18"
_cell_length_a 5.84717964
_cell_length_b 5.84717964
_cell_length_c 11.581486
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999588000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sc6Fe6O18
_chemical_formula_sum "Sc6 Fe6 O18"
_cell_length_a 5.84717964
_cell_length_b 5.84717964
_cell_length_c 11.581486
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999588000001
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | d911c829-83f5-47a8-a6af-339306bba91f | mp-673347 | Move atoms at indices [17, 14, 8, 11, 3, 13, 1, 7, 4, 15, 10, 18] by [-2.1 2.867 0.423] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb4H4O12
_chemical_formula_sum "Nb4 H4 O12"
_cell_length_a 6.745082
_cell_length_b 6.77872734
_cell_length_c 6.78036756
_cell_angle_alpha 110.05932264
_cell_angle_beta 108.24881913
_cell_angle_gamma 109.8068904
_space_group_name_H-... | data_image0
_chemical_formula_structural Nb4H4O12
_chemical_formula_sum "Nb4 H4 O12"
_cell_length_a 6.745082
_cell_length_b 6.77872734
_cell_length_c 6.78036756
_cell_angle_alpha 110.05932264
_cell_angle_beta 108.24881913
_cell_angle_gamma 109.8068904
_space_group_name_H-... |
MoveSelectedAtomsAction | b2be4a43-2386-4726-967e-a7dbf17fd2ee | mp-1214900 | Move atoms at indices [65, 72, 27, 45, 94, 80, 28, 92, 18, 88, 66, 77, 55, 0, 3, 11, 31, 69, 93, 22, 48, 29, 35, 42, 90, 83, 64, 26, 38, 56, 51, 23, 85, 4, 62, 10, 61, 50, 40, 78, 47, 41, 59, 81, 24, 1, 67, 17, 9, 33] by [-1.348 1.18 -0.022] angstrom in the cif file. | data_image0
_chemical_formula_structural B4C48Cl4F40
_chemical_formula_sum "B4 C48 Cl4 F40"
_cell_length_a 6.496112
_cell_length_b 14.75944
_cell_length_c 16.981840949999995
_cell_angle_alpha 57.459768459999985
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural B4C48Cl4F40
_chemical_formula_sum "B4 C48 Cl4 F40"
_cell_length_a 6.496112
_cell_length_b 14.75944
_cell_length_c 16.981840949999995
_cell_angle_alpha 57.459768459999985
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
MoveSelectedAtomsAction | 6be0a92a-a170-453f-8bf8-796453815f5a | mp-1247313 | Move atoms at indices [30, 9, 31, 20, 1, 2, 17, 8, 7, 12, 23] by [-2.975 3.22 -0.337] angstrom in the cif file. | data_image0
_chemical_formula_structural Zn16Ag4N12
_chemical_formula_sum "Zn16 Ag4 N12"
_cell_length_a 7.08364552
_cell_length_b 6.79057865
_cell_length_c 11.30124314
_cell_angle_alpha 92.11266917
_cell_angle_beta 94.26143464
_cell_angle_gamma 122.26437455999998
_space_g... | data_image0
_chemical_formula_structural Zn16Ag4N12
_chemical_formula_sum "Zn16 Ag4 N12"
_cell_length_a 7.08364552
_cell_length_b 6.79057865
_cell_length_c 11.30124314
_cell_angle_alpha 92.11266917
_cell_angle_beta 94.26143464
_cell_angle_gamma 122.26437455999998
_space_g... |
MoveSelectedAtomsAction | 1bf80e40-01c3-4c4c-b6b1-281d7a724a2c | mp-584637 | Move atoms at indices [4, 23, 16, 7, 18, 14, 3, 17, 8, 0, 5, 12, 24, 15, 9, 21, 20] by [-5.306 -2.137 0.172] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr2P6O18
_chemical_formula_sum "Cr2 P6 O18"
_cell_length_a 6.61072228
_cell_length_b 6.610690540000001
_cell_length_c 9.672113889999999
_cell_angle_alpha 90.16251924
_cell_angle_beta 90.16212703
_cell_angle_gamma 60.09514252999999
... | data_image0
_chemical_formula_structural Cr2P6O18
_chemical_formula_sum "Cr2 P6 O18"
_cell_length_a 6.61072228
_cell_length_b 6.610690540000001
_cell_length_c 9.672113889999999
_cell_angle_alpha 90.16251924
_cell_angle_beta 90.16212703
_cell_angle_gamma 60.09514252999999
... |
MoveSelectedAtomsAction | 0939bff8-0b31-4f0a-b831-57937503a724 | mp-1224658 | Move atoms at indices [24, 34, 29, 19, 20, 13, 31] by [-1.784 -0.24 6.442] 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 | 86dd9642-4302-4d51-9f9c-be4eb9e52f1c | mp-1102237 | Move atoms at indices [0, 4, 9, 7, 5, 2, 1, 6] by [-3.82 3.724 2.446] angstrom in the cif file. | data_image0
_chemical_formula_structural Lu2Ga8Fe
_chemical_formula_sum "Lu2 Ga8 Fe1"
_cell_length_a 4.246767
_cell_length_b 4.246767
_cell_length_c 10.958662
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural Lu2Ga8Fe
_chemical_formula_sum "Lu2 Ga8 Fe1"
_cell_length_a 4.246767
_cell_length_b 4.246767
_cell_length_c 10.958662
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... |
MoveSelectedAtomsAction | dd6adb82-e00a-479d-ba03-42ee99e9acfa | mp-769018 | Move atoms at indices [19, 42, 45, 17, 12, 63, 31, 8, 66, 0, 21, 49, 27, 18, 62, 35, 59, 69, 28, 7, 48, 30, 52, 32, 56, 23, 22, 37, 40, 38, 67, 70, 25, 2, 1, 16, 26, 33, 64, 55, 68] by [3.978 1.049 0.671] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Fe8S12O48
_chemical_formula_sum "Li4 Fe8 S12 O48"
_cell_length_a 8.81743
_cell_length_b 8.529569
_cell_length_c 14.69161559
_cell_angle_alpha 55.572251030000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li4Fe8S12O48
_chemical_formula_sum "Li4 Fe8 S12 O48"
_cell_length_a 8.81743
_cell_length_b 8.529569
_cell_length_c 14.69161559
_cell_angle_alpha 55.572251030000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveSelectedAtomsAction | 21958901-8e9a-4333-b1fd-674d6f45bc21 | mp-1193362 | Move atoms at indices [5, 23, 27, 9, 13, 0, 26, 7, 22, 18, 1, 24, 10, 21, 25, 8, 6, 19, 3, 12, 15, 4] by [-0.367 -2.244 -3.153] angstrom in the cif file. | data_image0
_chemical_formula_structural Ce12Se12N4
_chemical_formula_sum "Ce12 Se12 N4"
_cell_length_a 4.18293152
_cell_length_b 12.8179042
_cell_length_c 13.46158808
_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 Ce12Se12N4
_chemical_formula_sum "Ce12 Se12 N4"
_cell_length_a 4.18293152
_cell_length_b 12.8179042
_cell_length_c 13.46158808
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveSelectedAtomsAction | b48982e8-2b8f-4807-a8ad-b791d107d344 | mp-1227612 | Move atoms at indices [24, 60, 58, 66, 20, 44, 22, 15, 5, 41, 57, 25, 4, 21, 7, 9] by [-0.534 -1.811 0.963] angstrom in the cif file. | data_image0
_chemical_formula_structural La18In10Se42
_chemical_formula_sum "La18 In10 Se42"
_cell_length_a 12.60651707
_cell_length_b 12.606517070000002
_cell_length_c 12.6065167
_cell_angle_alpha 96.01231212
_cell_angle_beta 96.01231212
_cell_angle_gamma 96.0123094
_spa... | data_image0
_chemical_formula_structural La18In10Se42
_chemical_formula_sum "La18 In10 Se42"
_cell_length_a 12.60651707
_cell_length_b 12.606517070000002
_cell_length_c 12.6065167
_cell_angle_alpha 96.01231212
_cell_angle_beta 96.01231212
_cell_angle_gamma 96.0123094
_spa... |
MoveSelectedAtomsAction | 16a9b7e0-54b6-4b1b-aff4-8b44a8dcb7c6 | mp-757196 | Move atoms at indices [14, 8, 6, 7, 11, 2, 12, 0, 15, 16, 3, 18, 19, 9, 20, 21, 4] by [-2.338 -0.776 0.132] angstrom in the cif file. | data_image0
_chemical_formula_structural Hg4W4O14
_chemical_formula_sum "Hg4 W4 O14"
_cell_length_a 5.314241
_cell_length_b 8.55690931
_cell_length_c 9.0940042
_cell_angle_alpha 105.56429948000002
_cell_angle_beta 105.92332113
_cell_angle_gamma 97.42922239
_space_group_na... | data_image0
_chemical_formula_structural Hg4W4O14
_chemical_formula_sum "Hg4 W4 O14"
_cell_length_a 5.314241
_cell_length_b 8.55690931
_cell_length_c 9.0940042
_cell_angle_alpha 105.56429948000002
_cell_angle_beta 105.92332113
_cell_angle_gamma 97.42922239
_space_group_na... |
MoveSelectedAtomsAction | 54c3b592-436d-4a04-9462-53613021c088 | mp-1191504 | Move atoms at indices [7, 5, 21, 10, 18, 23, 4, 16] by [-3.791 -0.618 0.239] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe2S4N2O16
_chemical_formula_sum "Fe2 S4 N2 O16"
_cell_length_a 4.89555972
_cell_length_b 4.89555972
_cell_length_c 16.71673
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999619
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Fe2S4N2O16
_chemical_formula_sum "Fe2 S4 N2 O16"
_cell_length_a 4.89555972
_cell_length_b 4.89555972
_cell_length_c 16.71673
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999619
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | 77beff7f-9ecc-4995-9c7f-024bca20a67e | mp-771953 | Move atoms at indices [6, 4, 3, 2, 8, 22, 7, 1, 9, 24, 17] by [0.123 1.655 2.723] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Nb2Ni6O16
_chemical_formula_sum "Li4 Nb2 Ni6 O16"
_cell_length_a 5.87620765
_cell_length_b 5.87620765
_cell_length_c 9.636389
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999604
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li4Nb2Ni6O16
_chemical_formula_sum "Li4 Nb2 Ni6 O16"
_cell_length_a 5.87620765
_cell_length_b 5.87620765
_cell_length_c 9.636389
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999604
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | e3d67bb6-a2e5-4b3f-9260-005295f3c1fa | mp-603241 | Move atoms at indices [57, 7, 36, 42, 12, 62, 53, 61, 52, 63, 28, 46, 21, 14, 59, 6, 31, 18, 32, 60, 23, 44, 0, 2, 41, 19, 48, 5, 22, 35, 30, 54, 45, 13, 11, 25, 3, 51, 29, 34] by [-1.521 -1.864 1.701] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Fe4Si16O40
_chemical_formula_sum "Ba4 Fe4 Si16 O40"
_cell_length_a 10.88788597
_cell_length_b 10.88786546
_cell_length_c 11.1371523
_cell_angle_alpha 60.73805768
_cell_angle_beta 119.26190498999999
_cell_angle_gamma 89.99986976
... | data_image0
_chemical_formula_structural Ba4Fe4Si16O40
_chemical_formula_sum "Ba4 Fe4 Si16 O40"
_cell_length_a 10.88788597
_cell_length_b 10.88786546
_cell_length_c 11.1371523
_cell_angle_alpha 60.73805768
_cell_angle_beta 119.26190498999999
_cell_angle_gamma 89.99986976
... |
MoveSelectedAtomsAction | 60ff1e3d-fa5b-40ce-9f94-f13ffd72ccde | mp-755663 | Move atoms at indices [9, 20, 13, 14, 5] by [ 2.503 3.366 -1.2 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta4Pb4O14
_chemical_formula_sum "Ta4 Pb4 O14"
_cell_length_a 13.63450404
_cell_length_b 13.63450404
_cell_length_c 5.8182024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 163.23215469999997
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ta4Pb4O14
_chemical_formula_sum "Ta4 Pb4 O14"
_cell_length_a 13.63450404
_cell_length_b 13.63450404
_cell_length_c 5.8182024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 163.23215469999997
_space_group_name_H-M_al... |
MoveSelectedAtomsAction | f26d3153-ed8e-4bf3-9aa0-8b708e461924 | mp-1644899 | Move atoms at indices [23, 36, 34, 33] by [2.15 1.233 2.956] angstrom in the cif file. | data_image0
_chemical_formula_structural Li6V4C8O24
_chemical_formula_sum "Li6 V4 C8 O24"
_cell_length_a 7.66037472
_cell_length_b 7.65804484
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_angle_beta 106.37065208
_cell_angle_gamma 72.72422425
_space_group_n... | data_image0
_chemical_formula_structural Li6V4C8O24
_chemical_formula_sum "Li6 V4 C8 O24"
_cell_length_a 7.66037472
_cell_length_b 7.65804484
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_angle_beta 106.37065208
_cell_angle_gamma 72.72422425
_space_group_n... |
MoveSelectedAtomsAction | 88c262ce-e03d-4fb5-956f-1a67f238f2cb | mp-731799 | Move atoms at indices [40, 27, 59, 39, 21, 37, 23, 42, 9, 16, 51, 8, 19, 7, 1, 29, 58, 57, 12, 53, 48, 2, 15, 56, 4, 34, 31, 38, 36, 52, 25, 47, 10, 3, 13, 32, 50, 54, 18, 20, 28, 30, 55, 41, 45, 24, 33, 43, 26, 0, 14, 44, 22, 35, 5] by [-2.506 -0.703 -0.658] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg12C6Cl6O36
_chemical_formula_sum "Mg12 C6 Cl6 O36"
_cell_length_a 7.518464
_cell_length_b 13.36744087
_cell_length_c 13.44225658
_cell_angle_alpha 116.23411858999998
_cell_angle_beta 100.70271424
_cell_angle_gamma 100.870698739999... | data_image0
_chemical_formula_structural Mg12C6Cl6O36
_chemical_formula_sum "Mg12 C6 Cl6 O36"
_cell_length_a 7.518464
_cell_length_b 13.36744087
_cell_length_c 13.44225658
_cell_angle_alpha 116.23411858999998
_cell_angle_beta 100.70271424
_cell_angle_gamma 100.870698739999... |
MoveSelectedAtomsAction | da7c5a1d-1730-4888-994e-694122f0ad1b | mp-1233509 | Move atoms at indices [13, 7, 6, 8, 16, 12, 4, 14, 17, 15, 11, 18, 3] by [-1.124 -2.073 -1.726] angstrom in the cif file. | data_image0
_chemical_formula_structural CaSm4Tm4O12
_chemical_formula_sum "Ca1 Sm4 Tm4 O12"
_cell_length_a 6.15719197
_cell_length_b 8.540944
_cell_length_c 5.87282362
_cell_angle_alpha 90.0
_cell_angle_beta 90.73624520999999
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural CaSm4Tm4O12
_chemical_formula_sum "Ca1 Sm4 Tm4 O12"
_cell_length_a 6.15719197
_cell_length_b 8.540944
_cell_length_c 5.87282362
_cell_angle_alpha 90.0
_cell_angle_beta 90.73624520999999
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveSelectedAtomsAction | 671a8057-2670-4968-a609-74bcd08e68aa | mp-2230445 | Move atoms at indices [10, 5] by [-2.745 0.359 -0.278] angstrom in the cif file. | data_image0
_chemical_formula_structural MgMn6O7F5
_chemical_formula_sum "Mg1 Mn6 O7 F5"
_cell_length_a 5.1158998
_cell_length_b 7.606077739999999
_cell_length_c 5.84774966
_cell_angle_alpha 94.61415666
_cell_angle_beta 83.67986341
_cell_angle_gamma 93.05168575
_space_gro... | data_image0
_chemical_formula_structural MgMn6O7F5
_chemical_formula_sum "Mg1 Mn6 O7 F5"
_cell_length_a 5.1158998
_cell_length_b 7.606077739999999
_cell_length_c 5.84774966
_cell_angle_alpha 94.61415666
_cell_angle_beta 83.67986341
_cell_angle_gamma 93.05168575
_space_gro... |
MoveSelectedAtomsAction | 1efb01f2-fb9d-461a-9f3a-5025d784e7f3 | mp-1033378 | Move atoms at indices [9, 8, 0, 14, 5, 11, 6, 15, 10, 12, 13, 4, 1, 3] by [ 1.811 1.105 -0.968] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg6CrBiO8
_chemical_formula_sum "Mg6 Cr1 Bi1 O8"
_cell_length_a 9.14803218
_cell_length_b 4.48557092
_cell_length_c 4.48557092
_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 Mg6CrBiO8
_chemical_formula_sum "Mg6 Cr1 Bi1 O8"
_cell_length_a 9.14803218
_cell_length_b 4.48557092
_cell_length_c 4.48557092
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveSelectedAtomsAction | 83d76927-324a-4ba2-b332-6946cb690e50 | mp-555231 | Move atoms at indices [22, 27, 18, 35, 37, 44, 45, 28, 30, 16, 41, 15, 4, 43, 3, 13, 29, 8, 33, 10] by [-1.509 2.886 1.227] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba6Bi4P8O32
_chemical_formula_sum "Ba6 Bi4 P8 O32"
_cell_length_a 11.31972441
_cell_length_b 11.31972441
_cell_length_c 8.859109460000003
_cell_angle_alpha 71.80341612
_cell_angle_beta 71.80341612
_cell_angle_gamma 46.15737832999998... | data_image0
_chemical_formula_structural Ba6Bi4P8O32
_chemical_formula_sum "Ba6 Bi4 P8 O32"
_cell_length_a 11.31972441
_cell_length_b 11.31972441
_cell_length_c 8.859109460000003
_cell_angle_alpha 71.80341612
_cell_angle_beta 71.80341612
_cell_angle_gamma 46.15737832999998... |
MoveSelectedAtomsAction | 9aeda813-f239-40c5-9e55-9b0e87b8eb56 | mp-1175381 | Move atoms at indices [29, 5, 23, 6, 19, 22, 1, 4, 10, 17, 28, 16, 27] by [-0.068 0.876 1.072] angstrom in the cif file. | data_image0
_chemical_formula_structural Li9Co7O16
_chemical_formula_sum "Li9 Co7 O16"
_cell_length_a 4.85598167
_cell_length_b 5.654774270000001
_cell_length_c 9.73929776
_cell_angle_alpha 89.33676523
_cell_angle_beta 99.52640282
_cell_angle_gamma 106.64988519
_space_gro... | data_image0
_chemical_formula_structural Li9Co7O16
_chemical_formula_sum "Li9 Co7 O16"
_cell_length_a 4.85598167
_cell_length_b 5.654774270000001
_cell_length_c 9.73929776
_cell_angle_alpha 89.33676523
_cell_angle_beta 99.52640282
_cell_angle_gamma 106.64988519
_space_gro... |
MoveSelectedAtomsAction | 81fcef00-df28-43b4-81ed-82ce17d81505 | mp-1523289 | Move atoms at indices [14, 6, 7, 11, 4, 3, 1, 5, 0] by [5.209 3.008 2.124] angstrom in the cif file. | data_image0
_chemical_formula_structural BaCaSn4O12
_chemical_formula_sum "Ba1 Ca1 Sn4 O12"
_cell_length_a 5.80842052
_cell_length_b 5.808420519999999
_cell_length_c 8.17261522
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.94865429999999
_space_group_n... | data_image0
_chemical_formula_structural BaCaSn4O12
_chemical_formula_sum "Ba1 Ca1 Sn4 O12"
_cell_length_a 5.80842052
_cell_length_b 5.808420519999999
_cell_length_c 8.17261522
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.94865429999999
_space_group_n... |
MoveSelectedAtomsAction | cb53485f-cf63-470a-8ef5-0778f23a23c0 | mp-607917 | Move atoms at indices [21, 9, 20, 39, 17, 37, 15, 6, 28, 45, 5, 12, 10, 31, 32, 16, 22, 35, 18, 30, 11, 19, 26, 47, 3, 41, 43, 38, 8, 1, 44, 40, 7, 34, 4, 42, 2, 13] by [-2.508 -2.245 -1.281] angstrom in the cif file. | data_image0
_chemical_formula_structural La21Fe8Sn7C12
_chemical_formula_sum "La21 Fe8 Sn7 C12"
_cell_length_a 11.6435625
_cell_length_b 11.6435625
_cell_length_c 11.643562499999998
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural La21Fe8Sn7C12
_chemical_formula_sum "La21 Fe8 Sn7 C12"
_cell_length_a 11.6435625
_cell_length_b 11.6435625
_cell_length_c 11.643562499999998
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... |
MoveSelectedAtomsAction | 5464b110-f93b-4d14-b158-5e60a84359fa | mp-759596 | Move atoms at indices [6, 2, 36, 21, 43, 13, 38, 20] by [ 0.655 1.044 -0.065] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Bi4P8O28
_chemical_formula_sum "Li4 Bi4 P8 O28"
_cell_length_a 5.614483
_cell_length_b 8.909416
_cell_length_c 14.112306079999998
_cell_angle_alpha 59.75628626999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Li4Bi4P8O28
_chemical_formula_sum "Li4 Bi4 P8 O28"
_cell_length_a 5.614483
_cell_length_b 8.909416
_cell_length_c 14.112306079999998
_cell_angle_alpha 59.75628626999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
MoveSelectedAtomsAction | c96bb27e-8ecb-43a7-aafd-3134654aae07 | mp-1207656 | Move atoms at indices [3, 34, 22, 7, 30, 11, 27, 16, 25, 31, 33, 32, 14, 4, 19, 24, 0, 35, 12, 5, 1, 15] by [ 1.287 -2.66 -1.218] angstrom in the cif file. | data_image0
_chemical_formula_structural Y4Pt4F28
_chemical_formula_sum "Y4 Pt4 F28"
_cell_length_a 5.41969803
_cell_length_b 8.78192589
_cell_length_c 11.88004866
_cell_angle_alpha 62.30397471
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Y4Pt4F28
_chemical_formula_sum "Y4 Pt4 F28"
_cell_length_a 5.41969803
_cell_length_b 8.78192589
_cell_length_c 11.88004866
_cell_angle_alpha 62.30397471
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveSelectedAtomsAction | fe41c125-ec30-4a1d-b14a-ee8b77e2e942 | mp-1227411 | Move atoms at indices [2] by [ 0.211 -0.287 -1.844] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Sr2Ni2W2O12
_chemical_formula_sum "Ba2 Sr2 Ni2 W2 O12"
_cell_length_a 5.73439911
_cell_length_b 5.73435315
_cell_length_c 9.9321412
_cell_angle_alpha 73.22091339
_cell_angle_beta 90.00004487000001
_cell_angle_gamma 59.99966143999... | data_image0
_chemical_formula_structural Ba2Sr2Ni2W2O12
_chemical_formula_sum "Ba2 Sr2 Ni2 W2 O12"
_cell_length_a 5.73439911
_cell_length_b 5.73435315
_cell_length_c 9.9321412
_cell_angle_alpha 73.22091339
_cell_angle_beta 90.00004487000001
_cell_angle_gamma 59.99966143999... |
MoveSelectedAtomsAction | 903ed878-33f8-4f1e-8c62-29d5c422fa0f | mp-1111394 | Move atoms at indices [8, 7, 0, 4] by [-2.102 1.401 2.749] angstrom in the cif file. | data_image0
_chemical_formula_structural CsRb2IrF6
_chemical_formula_sum "Cs1 Rb2 Ir1 F6"
_cell_length_a 6.78428369
_cell_length_b 6.78428369
_cell_length_c 6.78428369
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural CsRb2IrF6
_chemical_formula_sum "Cs1 Rb2 Ir1 F6"
_cell_length_a 6.78428369
_cell_length_b 6.78428369
_cell_length_c 6.78428369
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... |
MoveSelectedAtomsAction | 5800cebb-45f5-496d-b23c-df619c2a645c | mp-30902 | Move atoms at indices [15] by [-0.877 0.992 -0.984] angstrom in the cif file. | data_image0
_chemical_formula_structural Er4Ru4O14
_chemical_formula_sum "Er4 Ru4 O14"
_cell_length_a 7.187319
_cell_length_b 7.187319
_cell_length_c 7.187318999999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural Er4Ru4O14
_chemical_formula_sum "Er4 Ru4 O14"
_cell_length_a 7.187319
_cell_length_b 7.187319
_cell_length_c 7.187318999999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... |
MoveSelectedAtomsAction | 80963d50-b913-4c87-ba3a-972f54b3f550 | mp-772438 | Move atoms at indices [1, 5, 22, 17, 9, 14, 38, 40, 35, 28, 51, 53, 20, 26, 21, 50, 30, 7, 32, 15, 11, 25, 48, 18, 42, 2, 49, 4, 39, 6, 13, 41, 47, 36, 19, 0, 23, 37, 55, 52, 16, 43, 8, 24, 10, 46] by [-0.597 1.082 -0.328] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Co8P8O32
_chemical_formula_sum "Li8 Co8 P8 O32"
_cell_length_a 10.70056
_cell_length_b 5.706775
_cell_length_c 9.91070808
_cell_angle_alpha 88.30664252999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Li8Co8P8O32
_chemical_formula_sum "Li8 Co8 P8 O32"
_cell_length_a 10.70056
_cell_length_b 5.706775
_cell_length_c 9.91070808
_cell_angle_alpha 88.30664252999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveSelectedAtomsAction | beb63de6-3604-47a2-8e14-9b70639df05a | mp-1209996 | Move atoms at indices [9, 5, 0, 15, 3, 10, 1, 4, 8, 12, 2, 7] by [-3.847 -2.482 3.332] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd4Mo4O8
_chemical_formula_sum "Nd4 Mo4 O8"
_cell_length_a 7.63330738
_cell_length_b 7.63330738
_cell_length_c 7.63330738
_cell_angle_alpha 129.93531083
_cell_angle_beta 129.93531083
_cell_angle_gamma 73.51020212
_space_group_name_... | data_image0
_chemical_formula_structural Nd4Mo4O8
_chemical_formula_sum "Nd4 Mo4 O8"
_cell_length_a 7.63330738
_cell_length_b 7.63330738
_cell_length_c 7.63330738
_cell_angle_alpha 129.93531083
_cell_angle_beta 129.93531083
_cell_angle_gamma 73.51020212
_space_group_name_... |
MoveSelectedAtomsAction | c2d7cbab-97b8-4dd4-993b-cce6a8e71284 | mp-1239200 | Move atoms at indices [53, 38, 24, 27, 40, 49, 15, 42, 39, 55, 50, 1, 52, 11, 12, 47, 54, 36, 17, 30, 28, 18, 21, 13, 4, 41, 23, 8, 37, 51, 25, 9, 35, 43, 45, 7, 5, 22, 3] by [ 2.475 0.119 -2.776] angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Cr16S32
_chemical_formula_sum "Na8 Cr16 S32"
_cell_length_a 11.588982
_cell_length_b 7.263585
_cell_length_c 12.057199
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Na8Cr16S32
_chemical_formula_sum "Na8 Cr16 S32"
_cell_length_a 11.588982
_cell_length_b 7.263585
_cell_length_c 12.057199
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
MoveSelectedAtomsAction | 0a342796-5b03-4e67-928d-08322e4465f5 | mp-1110899 | Move atoms at indices [9, 0, 5, 3, 2, 6, 7, 4, 1, 8] by [-0.524 -0.045 0.562] angstrom in the cif file. | data_image0
_chemical_formula_structural K2LiSbBr6
_chemical_formula_sum "K2 Li1 Sb1 Br6"
_cell_length_a 7.82342236
_cell_length_b 7.82342236
_cell_length_c 7.823422360000001
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... | data_image0
_chemical_formula_structural K2LiSbBr6
_chemical_formula_sum "K2 Li1 Sb1 Br6"
_cell_length_a 7.82342236
_cell_length_b 7.82342236
_cell_length_c 7.823422360000001
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... |
MoveSelectedAtomsAction | 7ecd3893-d56c-4362-b60d-ad97515f9361 | mp-760242 | Move atoms at indices [10] by [-2.116 1.737 1.334] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2V2O2F8
_chemical_formula_sum "Li2 V2 O2 F8"
_cell_length_a 5.401869
_cell_length_b 5.69685013
_cell_length_c 7.03443399
_cell_angle_alpha 104.48111898
_cell_angle_beta 96.25876045999999
_cell_angle_gamma 112.17030088
_space_grou... | data_image0
_chemical_formula_structural Li2V2O2F8
_chemical_formula_sum "Li2 V2 O2 F8"
_cell_length_a 5.401869
_cell_length_b 5.69685013
_cell_length_c 7.03443399
_cell_angle_alpha 104.48111898
_cell_angle_beta 96.25876045999999
_cell_angle_gamma 112.17030088
_space_grou... |
MoveSelectedAtomsAction | c9e6ed6b-69a3-48ec-b09c-80dd8791ef03 | mp-767720 | Move atoms at indices [40, 41, 44, 16, 23, 7, 19, 6, 32, 5, 15, 8, 43, 42, 17, 20, 26, 3, 29, 21, 34, 35, 4, 1, 11, 0, 12, 45] by [-3.985 0.774 -3.509] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V8Si8O26
_chemical_formula_sum "Li4 V8 Si8 O26"
_cell_length_a 6.939269
_cell_length_b 8.01079086
_cell_length_c 10.37522651
_cell_angle_alpha 67.56335181999998
_cell_angle_beta 80.59947301
_cell_angle_gamma 77.53752448
_space_g... | data_image0
_chemical_formula_structural Li4V8Si8O26
_chemical_formula_sum "Li4 V8 Si8 O26"
_cell_length_a 6.939269
_cell_length_b 8.01079086
_cell_length_c 10.37522651
_cell_angle_alpha 67.56335181999998
_cell_angle_beta 80.59947301
_cell_angle_gamma 77.53752448
_space_g... |
MoveSelectedAtomsAction | f717f959-73b6-4fe0-a912-58941061220e | mp-560925 | Move atoms at indices [26, 28, 10, 25, 36, 7, 4, 0, 34, 38, 39, 1, 42, 17, 3, 23, 15, 21, 32, 43, 18, 24, 14, 29, 41, 30, 33, 40, 11, 20, 27, 2, 12, 22, 6, 16, 19] by [-1.604 -2.956 -1.307] angstrom in the cif file. | data_image0
_chemical_formula_structural Na10Fe6F28
_chemical_formula_sum "Na10 Fe6 F28"
_cell_length_a 7.428808
_cell_length_b 7.528727
_cell_length_c 12.87864626
_cell_angle_alpha 55.22259577
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Na10Fe6F28
_chemical_formula_sum "Na10 Fe6 F28"
_cell_length_a 7.428808
_cell_length_b 7.528727
_cell_length_c 12.87864626
_cell_angle_alpha 55.22259577
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveSelectedAtomsAction | 7eb2b128-7d14-40d9-8adb-2b576ad8db81 | mp-1221912 | Move atoms at indices [9, 12, 3, 10, 6, 5, 11, 8, 7, 0, 13, 2, 1] by [-0.456 -2.097 -5.952] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn2CrGa3S8
_chemical_formula_sum "Mn2 Cr1 Ga3 S8"
_cell_length_a 12.591627
_cell_length_b 12.591627
_cell_length_c 6.476595429999999
_cell_angle_alpha 85.14436659
_cell_angle_beta 85.14436659
_cell_angle_gamma 16.866044550000005
_s... | data_image0
_chemical_formula_structural Mn2CrGa3S8
_chemical_formula_sum "Mn2 Cr1 Ga3 S8"
_cell_length_a 12.591627
_cell_length_b 12.591627
_cell_length_c 6.476595429999999
_cell_angle_alpha 85.14436659
_cell_angle_beta 85.14436659
_cell_angle_gamma 16.866044550000005
_s... |
MoveSelectedAtomsAction | 39fe5095-7572-4c19-8ab8-57653f736e81 | mp-1223870 | Move atoms at indices [10, 5, 3, 8, 11, 7, 2, 9, 6, 1, 0] by [-0.875 -0.049 -1.64 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Hf4Al6Pd2
_chemical_formula_sum "Hf4 Al6 Pd2"
_cell_length_a 5.29472706
_cell_length_b 5.29472706
_cell_length_c 8.31552766
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000427000002
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Hf4Al6Pd2
_chemical_formula_sum "Hf4 Al6 Pd2"
_cell_length_a 5.29472706
_cell_length_b 5.29472706
_cell_length_c 8.31552766
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000427000002
_space_group_name_H-M_alt... |
MoveSelectedAtomsAction | 0494784c-d55e-4e12-829f-b792b22704d1 | mp-8876 | Move atoms at indices [3, 18, 10, 6, 17, 16, 22, 2, 12, 13, 5, 0, 4, 20] by [ 1.146 -1.373 0.691] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Al6SO12
_chemical_formula_sum "Ca4 Al6 S1 O12"
_cell_length_a 7.87792826
_cell_length_b 7.87792826
_cell_length_c 7.87792826
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_grou... | data_image0
_chemical_formula_structural Ca4Al6SO12
_chemical_formula_sum "Ca4 Al6 S1 O12"
_cell_length_a 7.87792826
_cell_length_b 7.87792826
_cell_length_c 7.87792826
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_grou... |
MoveSelectedAtomsAction | 1271a2ac-7b24-4c6e-998a-01d444d46bf7 | mp-1180875 | Move atoms at indices [42, 23, 26, 37, 43, 38, 13, 41, 4, 31, 34, 28, 35, 18, 40, 25, 39, 10, 7, 30, 16, 27, 8, 1, 21, 32, 19] by [ 0.791 -1.102 -0.084] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn2N12O32
_chemical_formula_sum "Mn2 N12 O32"
_cell_length_a 6.834622
_cell_length_b 9.156219
_cell_length_c 13.35670917
_cell_angle_alpha 64.60164224
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Mn2N12O32
_chemical_formula_sum "Mn2 N12 O32"
_cell_length_a 6.834622
_cell_length_b 9.156219
_cell_length_c 13.35670917
_cell_angle_alpha 64.60164224
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveSelectedAtomsAction | 02d4dc4f-8499-4c79-9607-721aa0e6e30e | mp-1204905 | Move atoms at indices [30, 26, 5, 15, 2, 10, 21, 28, 6, 36, 4, 24, 23, 35, 3, 12, 19, 1, 7, 16, 22, 9, 0, 37, 17, 31, 14, 8] by [ 1.5 -1.401 -2.547] angstrom in the cif file. | data_image0
_chemical_formula_structural Y4Al6Co28
_chemical_formula_sum "Y4 Al6 Co28"
_cell_length_a 8.3658884
_cell_length_b 8.3658884
_cell_length_c 8.173345
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000032
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Y4Al6Co28
_chemical_formula_sum "Y4 Al6 Co28"
_cell_length_a 8.3658884
_cell_length_b 8.3658884
_cell_length_c 8.173345
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000032
_space_group_name_H-M_alt "P 1"
_... |
MoveSelectedAtomsAction | 0c4d332b-c387-4ffa-a768-771ddd6c798c | mp-1305320 | Move atoms at indices [20, 26, 7, 25, 5, 13, 29, 21, 1] by [-1.781 -0.716 -1.456] angstrom in the cif file. | data_image0
_chemical_formula_structural Li16Co2O10F2
_chemical_formula_sum "Li16 Co2 O10 F2"
_cell_length_a 5.29848206
_cell_length_b 10.55721191
_cell_length_c 5.43920368
_cell_angle_alpha 104.69546631
_cell_angle_beta 65.38784396
_cell_angle_gamma 92.99284474
_space_gr... | data_image0
_chemical_formula_structural Li16Co2O10F2
_chemical_formula_sum "Li16 Co2 O10 F2"
_cell_length_a 5.29848206
_cell_length_b 10.55721191
_cell_length_c 5.43920368
_cell_angle_alpha 104.69546631
_cell_angle_beta 65.38784396
_cell_angle_gamma 92.99284474
_space_gr... |
MoveSelectedAtomsAction | 0bdc936f-1bbd-4ac3-a231-4a69e2b39dd7 | mp-1113545 | Move atoms at indices [7, 8, 6, 9, 5, 1, 4, 0, 3, 2] by [-1.638 -0.092 1.984] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2HgAsI6
_chemical_formula_sum "Rb2 Hg1 As1 I6"
_cell_length_a 8.49309349
_cell_length_b 8.49309349
_cell_length_c 8.49309349
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Rb2HgAsI6
_chemical_formula_sum "Rb2 Hg1 As1 I6"
_cell_length_a 8.49309349
_cell_length_b 8.49309349
_cell_length_c 8.49309349
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... |
MoveSelectedAtomsAction | d82aa750-eda2-4b22-b3b3-159f619a08ce | mp-776358 | Move atoms at indices [27, 29, 31, 48, 40, 47, 36, 51, 7, 42, 3, 28, 22, 49, 44, 8, 10, 26, 2, 11, 45, 15, 24] by [3.163 1.701 0.199] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Mn4C8S2O32
_chemical_formula_sum "Li8 Mn4 C8 S2 O32"
_cell_length_a 9.68366697
_cell_length_b 9.49456407
_cell_length_c 9.36586872
_cell_angle_alpha 61.78178144999998
_cell_angle_beta 59.76256551999999
_cell_angle_gamma 58.455653... | data_image0
_chemical_formula_structural Li8Mn4C8S2O32
_chemical_formula_sum "Li8 Mn4 C8 S2 O32"
_cell_length_a 9.68366697
_cell_length_b 9.49456407
_cell_length_c 9.36586872
_cell_angle_alpha 61.78178144999998
_cell_angle_beta 59.76256551999999
_cell_angle_gamma 58.455653... |
MoveSelectedAtomsAction | 05788169-fa9b-4adc-85d4-f763abb236db | mp-26721 | Move atoms at indices [0, 19, 16, 21, 9, 25, 7, 20, 17, 24, 15, 12, 6, 1, 2, 14, 22, 8, 13, 11, 5, 23, 10] by [ 2.584 -0.335 1.862] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Nb2P4O16
_chemical_formula_sum "Li4 Nb2 P4 O16"
_cell_length_a 5.147372
_cell_length_b 7.732942250000001
_cell_length_c 8.169266
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 93.86321496
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li4Nb2P4O16
_chemical_formula_sum "Li4 Nb2 P4 O16"
_cell_length_a 5.147372
_cell_length_b 7.732942250000001
_cell_length_c 8.169266
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 93.86321496
_space_group_name_H-M_al... |
MoveSelectedAtomsAction | a7e57ea5-778d-4eeb-bd56-5cfd11ca6112 | mp-1197552 | Move atoms at indices [28] by [ 0.605 -1.59 1.385] angstrom in the cif file. | data_image0
_chemical_formula_structural U8Pb4Se20
_chemical_formula_sum "U8 Pb4 Se20"
_cell_length_a 7.822693
_cell_length_b 8.1085
_cell_length_c 12.886077
_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 U8Pb4Se20
_chemical_formula_sum "U8 Pb4 Se20"
_cell_length_a 7.822693
_cell_length_b 8.1085
_cell_length_c 12.886077
_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 | 6e1b5994-c5d4-4fb5-bbfd-e699b6f4b3bc | mp-861986 | Move atoms at indices [11, 17, 13, 0, 5, 9, 18, 4, 8, 16, 1, 7, 12, 2, 10, 19, 3] by [ 1.176 3.457 -4.203] angstrom in the cif file. | data_image0
_chemical_formula_structural Pr10Al4Ru6
_chemical_formula_sum "Pr10 Al4 Ru6"
_cell_length_a 8.57985719
_cell_length_b 8.57985719
_cell_length_c 8.57985719
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_... | data_image0
_chemical_formula_structural Pr10Al4Ru6
_chemical_formula_sum "Pr10 Al4 Ru6"
_cell_length_a 8.57985719
_cell_length_b 8.57985719
_cell_length_c 8.57985719
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_... |
MoveSelectedAtomsAction | 59a87ce5-b247-44b1-a0c7-40fd556cdc35 | mp-1355331 | Move atoms at indices [6, 9, 26, 24, 10, 23] by [-0.245 1.182 -0.553] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr6H10Os4O16
_chemical_formula_sum "Sr6 H10 Os4 O16"
_cell_length_a 5.877961
_cell_length_b 9.943458519999998
_cell_length_c 10.79790845
_cell_angle_alpha 116.61953445
_cell_angle_beta 87.11798931999999
_cell_angle_gamma 106.6839357... | data_image0
_chemical_formula_structural Sr6H10Os4O16
_chemical_formula_sum "Sr6 H10 Os4 O16"
_cell_length_a 5.877961
_cell_length_b 9.943458519999998
_cell_length_c 10.79790845
_cell_angle_alpha 116.61953445
_cell_angle_beta 87.11798931999999
_cell_angle_gamma 106.6839357... |
MoveSelectedAtomsAction | db325817-1326-49e9-b6b6-3eedf5acf3de | mp-756284 | Move atoms at indices [19, 20, 16, 1, 21, 12, 23, 13, 3, 18] by [ 0.6 1.868 -0.683] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Co4B4O12
_chemical_formula_sum "Li4 Co4 B4 O12"
_cell_length_a 3.11646909
_cell_length_b 9.157085840000002
_cell_length_c 9.38489997
_cell_angle_alpha 89.99324704
_cell_angle_beta 90.64960494
_cell_angle_gamma 89.45897561
_space... | data_image0
_chemical_formula_structural Li4Co4B4O12
_chemical_formula_sum "Li4 Co4 B4 O12"
_cell_length_a 3.11646909
_cell_length_b 9.157085840000002
_cell_length_c 9.38489997
_cell_angle_alpha 89.99324704
_cell_angle_beta 90.64960494
_cell_angle_gamma 89.45897561
_space... |
MoveSelectedAtomsAction | cee479b4-59f0-402e-a855-8cb31acae91f | mp-1202862 | Move atoms at indices [16, 27, 30, 5, 9, 12, 18, 26, 1, 17, 23, 4, 8, 28, 6] by [-0.256 1.469 -1.808] angstrom in the cif file. | data_image0
_chemical_formula_structural Co4S12N12O8
_chemical_formula_sum "Co4 S12 N12 O8"
_cell_length_a 15.606677
_cell_length_b 6.367947
_cell_length_c 7.57317343
_cell_angle_alpha 76.70725749
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Co4S12N12O8
_chemical_formula_sum "Co4 S12 N12 O8"
_cell_length_a 15.606677
_cell_length_b 6.367947
_cell_length_c 7.57317343
_cell_angle_alpha 76.70725749
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | 107e126b-64a9-4734-a9ae-e87f10ec3be9 | mp-1209468 | Move atoms at indices [4, 3, 7, 6, 1, 8, 5] by [-2.191 -1.351 -1.468] angstrom in the cif file. | data_image0
_chemical_formula_structural Pr8Rh2
_chemical_formula_sum "Pr8 Rh2"
_cell_length_a 7.95426398
_cell_length_b 7.95426398
_cell_length_c 7.95426398
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_... | data_image0
_chemical_formula_structural Pr8Rh2
_chemical_formula_sum "Pr8 Rh2"
_cell_length_a 7.95426398
_cell_length_b 7.95426398
_cell_length_c 7.95426398
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_... |
MoveSelectedAtomsAction | 92242bef-ceb0-4a20-98ca-8c02fa7080cc | mp-1207687 | Move atoms at indices [7, 11, 15, 5, 10, 2, 16, 0, 1, 17, 8, 14, 13, 4, 6, 3, 18] by [-4.495 2.602 3.482] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr8In12
_chemical_formula_sum "Zr8 In12"
_cell_length_a 6.867919
_cell_length_b 6.867919
_cell_length_c 11.447915710000002
_cell_angle_alpha 107.45542208
_cell_angle_beta 107.45542208
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Zr8In12
_chemical_formula_sum "Zr8 In12"
_cell_length_a 6.867919
_cell_length_b 6.867919
_cell_length_c 11.447915710000002
_cell_angle_alpha 107.45542208
_cell_angle_beta 107.45542208
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
MoveSelectedAtomsAction | 29fea7b4-3cb3-475e-89d4-2cae7aed5ab8 | mp-1213028 | Move atoms at indices [2] by [-0.253 0.126 -0.585] angstrom in the cif file. | data_image0
_chemical_formula_structural ErMn6Sn4Ge2
_chemical_formula_sum "Er1 Mn6 Sn4 Ge2"
_cell_length_a 5.3464204
_cell_length_b 5.3464204
_cell_length_c 8.664624
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000494
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural ErMn6Sn4Ge2
_chemical_formula_sum "Er1 Mn6 Sn4 Ge2"
_cell_length_a 5.3464204
_cell_length_b 5.3464204
_cell_length_c 8.664624
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000494
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 9d606ae0-8a68-4ea4-8686-a4f59f12a542 | mp-771449 | Move atoms at indices [8, 27, 7, 31, 9, 25] by [-1.605 -2.078 0. ] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn8P4O20
_chemical_formula_sum "Mn8 P4 O20"
_cell_length_a 6.06590547
_cell_length_b 7.30265316
_cell_length_c 8.43159788
_cell_angle_alpha 105.7104987
_cell_angle_beta 88.4740915
_cell_angle_gamma 99.33702759999998
_space_group_na... | data_image0
_chemical_formula_structural Mn8P4O20
_chemical_formula_sum "Mn8 P4 O20"
_cell_length_a 6.06590547
_cell_length_b 7.30265316
_cell_length_c 8.43159788
_cell_angle_alpha 105.7104987
_cell_angle_beta 88.4740915
_cell_angle_gamma 99.33702759999998
_space_group_na... |
MoveSelectedAtomsAction | 82e663ab-d736-4541-b964-00f914464e0e | mp-28507 | Move atoms at indices [10, 38, 42, 32, 1, 33, 26, 0, 22, 72, 71, 53, 51, 70, 43, 20, 65, 62, 59, 28, 9, 15, 44, 41, 5, 37, 35, 16, 66, 4, 29, 3, 61, 49, 60, 45, 25, 8, 17, 73, 31, 18, 2, 21, 11, 27, 67, 46, 64, 52, 39, 24, 58, 13, 50, 47, 14, 68, 69, 57, 30, 6, 40, 36, 19] by [ 0.556 -0.729 -3.055] angstrom in the cif ... | data_image0
_chemical_formula_structural La16Nb14S44
_chemical_formula_sum "La16 Nb14 S44"
_cell_length_a 16.39108437
_cell_length_b 16.39108437
_cell_length_c 5.8438245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.68789976
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La16Nb14S44
_chemical_formula_sum "La16 Nb14 S44"
_cell_length_a 16.39108437
_cell_length_b 16.39108437
_cell_length_c 5.8438245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.68789976
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | d241edb8-a97b-4019-ad4b-53ccd67236aa | mp-31486 | Move atoms at indices [10, 2, 0, 12, 6, 9, 14, 15, 3, 11, 4, 13] by [-0.132 0.09 1.952] angstrom in the cif file. | data_image0
_chemical_formula_structural K8Sn4Bi4
_chemical_formula_sum "K8 Sn4 Bi4"
_cell_length_a 6.58790816
_cell_length_b 6.81610235
_cell_length_c 13.44613075
_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 K8Sn4Bi4
_chemical_formula_sum "K8 Sn4 Bi4"
_cell_length_a 6.58790816
_cell_length_b 6.81610235
_cell_length_c 13.44613075
_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 | 9a9a7cfb-f526-4e53-8695-0fdc81a4361a | mp-557123 | Move atoms at indices [7, 42, 30, 49, 5, 1, 33, 6, 47, 2, 19, 16, 22, 9, 36, 24, 35, 4, 25, 48, 29, 14, 53, 34, 18, 39, 21, 20, 31, 17, 26, 13, 0, 28, 52, 15, 54] by [2.698 1.463 1.715] angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Cu4Si12O32
_chemical_formula_sum "Na8 Cu4 Si12 O32"
_cell_length_a 10.410557
_cell_length_b 8.012812
_cell_length_c 9.73027488
_cell_angle_alpha 74.34396582
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na8Cu4Si12O32
_chemical_formula_sum "Na8 Cu4 Si12 O32"
_cell_length_a 10.410557
_cell_length_b 8.012812
_cell_length_c 9.73027488
_cell_angle_alpha 74.34396582
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 11227596-b762-4fbf-8e87-e9e58d94b449 | mp-554002 | Move atoms at indices [12, 8, 4, 1, 3] by [-0.941 -0.151 0.231] angstrom in the cif file. | data_image0
_chemical_formula_structural Al2H6O6
_chemical_formula_sum "Al2 H6 O6"
_cell_length_a 4.959562
_cell_length_b 5.14807988
_cell_length_c 5.19558482
_cell_angle_alpha 103.44678532
_cell_angle_beta 98.72321195
_cell_angle_gamma 118.00210368
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Al2H6O6
_chemical_formula_sum "Al2 H6 O6"
_cell_length_a 4.959562
_cell_length_b 5.14807988
_cell_length_c 5.19558482
_cell_angle_alpha 103.44678532
_cell_angle_beta 98.72321195
_cell_angle_gamma 118.00210368
_space_group_name_H-M_... |
MoveSelectedAtomsAction | c2300240-c414-4780-99ae-4918428c5f94 | mp-1214900 | Move atoms at indices [74, 77, 5, 31, 63, 22, 8, 47, 82, 65, 49, 27, 37, 66, 55, 57, 44] by [0.54 1.399 1.721] angstrom in the cif file. | data_image0
_chemical_formula_structural B4C48Cl4F40
_chemical_formula_sum "B4 C48 Cl4 F40"
_cell_length_a 6.496112
_cell_length_b 14.75944
_cell_length_c 16.981840949999995
_cell_angle_alpha 57.459768459999985
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural B4C48Cl4F40
_chemical_formula_sum "B4 C48 Cl4 F40"
_cell_length_a 6.496112
_cell_length_b 14.75944
_cell_length_c 16.981840949999995
_cell_angle_alpha 57.459768459999985
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
MoveSelectedAtomsAction | d45bf6c5-bf82-4542-aa1c-9880f4a7ca9c | mp-1227442 | Move atoms at indices [5, 3, 7, 9, 6, 4, 1, 10, 0, 2] by [-0.32 -3.772 1.164] angstrom in the cif file. | data_image0
_chemical_formula_structural Be2BH3O5
_chemical_formula_sum "Be2 B1 H3 O5"
_cell_length_a 4.41713532
_cell_length_b 4.43574167
_cell_length_c 5.27555646
_cell_angle_alpha 92.43461318
_cell_angle_beta 89.13916789
_cell_angle_gamma 119.89439418000002
_space_grou... | data_image0
_chemical_formula_structural Be2BH3O5
_chemical_formula_sum "Be2 B1 H3 O5"
_cell_length_a 4.41713532
_cell_length_b 4.43574167
_cell_length_c 5.27555646
_cell_angle_alpha 92.43461318
_cell_angle_beta 89.13916789
_cell_angle_gamma 119.89439418000002
_space_grou... |
MoveSelectedAtomsAction | 6b329e4f-87c5-4345-bd66-b9b24ecea1e1 | mp-1191389 | Move atoms at indices [11, 0, 20, 6, 23, 5, 1, 14, 16, 17, 7, 10] by [-1.327 3.406 -0.053] angstrom in the cif file. | data_image0
_chemical_formula_structural Pr4V4O16
_chemical_formula_sum "Pr4 V4 O16"
_cell_length_a 6.66898717
_cell_length_b 6.9885765200000005
_cell_length_c 7.220464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.19302093999998
_space_group_name_H-M... | data_image0
_chemical_formula_structural Pr4V4O16
_chemical_formula_sum "Pr4 V4 O16"
_cell_length_a 6.66898717
_cell_length_b 6.9885765200000005
_cell_length_c 7.220464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.19302093999998
_space_group_name_H-M... |
MoveSelectedAtomsAction | adf3acd2-3566-45aa-bbdb-74907a81203f | mp-1220625 | Move atoms at indices [1] by [-0.93 1.059 -1.741] 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 | 45eed3b2-5b5c-4d54-8c24-dcd801fb9377 | mp-2452 | Move atoms at indices [10, 1, 7, 8, 3] by [-0.472 -1.963 0.952] angstrom in the cif file. | data_image0
_chemical_formula_structural P4O10
_chemical_formula_sum "P4 O10"
_cell_length_a 4.83501677
_cell_length_b 4.83501534
_cell_length_c 8.56186796
_cell_angle_alpha 99.5390988
_cell_angle_beta 99.53909892000001
_cell_angle_gamma 114.39856376
_space_group_name_H-M... | data_image0
_chemical_formula_structural P4O10
_chemical_formula_sum "P4 O10"
_cell_length_a 4.83501677
_cell_length_b 4.83501534
_cell_length_c 8.56186796
_cell_angle_alpha 99.5390988
_cell_angle_beta 99.53909892000001
_cell_angle_gamma 114.39856376
_space_group_name_H-M... |
MoveSelectedAtomsAction | ba1766fc-46e2-431b-88ce-fc003819b274 | mp-6564 | Move atoms at indices [22, 21, 19, 23, 4, 10, 6, 3, 15, 7, 5, 0, 11, 20, 18, 9, 2, 14] by [-0.785 0.69 1.089] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr4Mg2Si4O14
_chemical_formula_sum "Sr4 Mg2 Si4 O14"
_cell_length_a 8.09718
_cell_length_b 8.09718
_cell_length_c 5.22654
_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 Sr4Mg2Si4O14
_chemical_formula_sum "Sr4 Mg2 Si4 O14"
_cell_length_a 8.09718
_cell_length_b 8.09718
_cell_length_c 5.22654
_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 | 3c900bb1-582f-4bd3-bfce-9203195d9968 | mp-19984 | Move atoms at indices [5, 1, 13, 14, 3, 18, 11, 19, 16, 0, 12] by [-0.659 -4.434 -2.262] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb4B16
_chemical_formula_sum "Tb4 B16"
_cell_length_a 8.521227
_cell_length_b 8.521227
_cell_length_c 4.201706
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_n... | data_image0
_chemical_formula_structural Tb4B16
_chemical_formula_sum "Tb4 B16"
_cell_length_a 8.521227
_cell_length_b 8.521227
_cell_length_c 4.201706
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_n... |
MoveSelectedAtomsAction | dee8f7be-32ca-47dd-bd1c-32ef013fc039 | mp-2223123 | Move atoms at indices [0, 4, 8, 9, 3, 2] by [-1.763 -1.581 0.635] angstrom in the cif file. | data_image0
_chemical_formula_structural MgTe2Mo3Se2S2
_chemical_formula_sum "Mg1 Te2 Mo3 Se2 S2"
_cell_length_a 3.342426
_cell_length_b 3.34251085
_cell_length_c 30.961906
_cell_angle_alpha 89.99973867
_cell_angle_beta 89.9999588
_cell_angle_gamma 119.99879355000002
_spa... | data_image0
_chemical_formula_structural MgTe2Mo3Se2S2
_chemical_formula_sum "Mg1 Te2 Mo3 Se2 S2"
_cell_length_a 3.342426
_cell_length_b 3.34251085
_cell_length_c 30.961906
_cell_angle_alpha 89.99973867
_cell_angle_beta 89.9999588
_cell_angle_gamma 119.99879355000002
_spa... |
MoveSelectedAtomsAction | 9c77ae87-f15d-4848-8777-4833f2a65d35 | mp-1202068 | Move atoms at indices [23, 28, 15, 31, 1, 26, 18, 36, 6, 29, 24, 25, 16, 3, 33, 17, 9, 32, 30, 35, 13, 11, 21, 7, 5, 8, 4, 27, 2, 12, 34, 0, 22, 37] by [-0.88 2.654 2.643] angstrom in the cif file. | data_image0
_chemical_formula_structural Pd2C8S8I4N16
_chemical_formula_sum "Pd2 C8 S8 I4 N16"
_cell_length_a 9.834666
_cell_length_b 8.60705372
_cell_length_c 15.214518379999998
_cell_angle_alpha 57.278849029999996
_cell_angle_beta 71.14343923
_cell_angle_gamma 55.1580721... | data_image0
_chemical_formula_structural Pd2C8S8I4N16
_chemical_formula_sum "Pd2 C8 S8 I4 N16"
_cell_length_a 9.834666
_cell_length_b 8.60705372
_cell_length_c 15.214518379999998
_cell_angle_alpha 57.278849029999996
_cell_angle_beta 71.14343923
_cell_angle_gamma 55.1580721... |
MoveSelectedAtomsAction | 02f43071-3185-45a7-90f2-d2f29a17fef0 | mp-1189241 | Move atoms at indices [13, 2, 6, 12, 14, 3, 1, 15, 9] by [ 2.633 2.089 -1.172] angstrom in the cif file. | data_image0
_chemical_formula_structural Gd4As8Au4
_chemical_formula_sum "Gd4 As8 Au4"
_cell_length_a 4.04655659
_cell_length_b 4.04655659
_cell_length_c 20.504219
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.1389069
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Gd4As8Au4
_chemical_formula_sum "Gd4 As8 Au4"
_cell_length_a 4.04655659
_cell_length_b 4.04655659
_cell_length_c 20.504219
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.1389069
_space_group_name_H-M_alt "P 1"... |
MoveSelectedAtomsAction | ab310a50-c7ea-48e0-847b-813169edcf79 | mp-559738 | Move atoms at indices [16, 9, 21, 6, 41, 0, 49, 40, 15, 60, 54, 5, 11, 10, 22, 37, 12, 1, 53, 2, 38, 35, 50, 19, 59, 3, 55, 7, 63, 32, 8, 42, 20, 4, 26, 52, 36, 39, 48, 47, 56, 23, 13, 28, 25, 17, 58, 30, 61, 34, 18, 31, 45, 51, 24, 44, 29, 46] by [ 1.117 -0.1 1.391] angstrom in the cif file. | data_image0
_chemical_formula_structural Sb8S8N8Cl40
_chemical_formula_sum "Sb8 S8 N8 Cl40"
_cell_length_a 13.73769578
_cell_length_b 13.73769578
_cell_length_c 13.73769578
_cell_angle_alpha 111.41202979
_cell_angle_beta 111.41202979
_cell_angle_gamma 105.65566722000001
_... | data_image0
_chemical_formula_structural Sb8S8N8Cl40
_chemical_formula_sum "Sb8 S8 N8 Cl40"
_cell_length_a 13.73769578
_cell_length_b 13.73769578
_cell_length_c 13.73769578
_cell_angle_alpha 111.41202979
_cell_angle_beta 111.41202979
_cell_angle_gamma 105.65566722000001
_... |
MoveSelectedAtomsAction | ed75285f-c1ab-4e1d-af25-bb04035e91e0 | mp-1247837 | Move atoms at indices [37, 11, 25, 46, 34, 52, 36, 0, 55, 35, 3, 16, 50, 43, 8, 39, 23, 13, 29, 32, 9, 27, 44, 4, 19, 45, 20, 40, 41, 31, 42, 48] by [-2.699 1.083 1.641] angstrom in the cif file. | data_image0
_chemical_formula_structural Al16Zn8S32
_chemical_formula_sum "Al16 Zn8 S32"
_cell_length_a 6.159869
_cell_length_b 7.399954
_cell_length_c 26.387573
_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 Al16Zn8S32
_chemical_formula_sum "Al16 Zn8 S32"
_cell_length_a 6.159869
_cell_length_b 7.399954
_cell_length_c 26.387573
_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 | 03444df6-98fd-44ad-b46c-7ae2c9df2805 | mp-1217186 | Move atoms at indices [3, 19, 4, 1, 17, 13, 9, 5, 11, 7, 18, 8, 2] by [ 2.344 2.929 -1.407] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti3Sn5S12
_chemical_formula_sum "Ti3 Sn5 S12"
_cell_length_a 3.61936051
_cell_length_b 9.1720841
_cell_length_c 13.81562008
_cell_angle_alpha 89.56937859
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ti3Sn5S12
_chemical_formula_sum "Ti3 Sn5 S12"
_cell_length_a 3.61936051
_cell_length_b 9.1720841
_cell_length_c 13.81562008
_cell_angle_alpha 89.56937859
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveSelectedAtomsAction | 9c876dc0-15dc-436c-9968-dc017adb3a54 | mp-561216 | Move atoms at indices [14, 34, 22, 27, 11, 15, 36, 3, 2, 31] by [-1.282 0.963 3.533] angstrom in the cif file. | data_image0
_chemical_formula_structural Cu8Ge8O24
_chemical_formula_sum "Cu8 Ge8 O24"
_cell_length_a 7.73822104
_cell_length_b 7.73822104
_cell_length_c 8.71447
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 100.64867754
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Cu8Ge8O24
_chemical_formula_sum "Cu8 Ge8 O24"
_cell_length_a 7.73822104
_cell_length_b 7.73822104
_cell_length_c 8.71447
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 100.64867754
_space_group_name_H-M_alt "P 1"... |
MoveSelectedAtomsAction | 48e21a1d-53bd-44c9-9411-ef911e09d491 | mp-1029153 | Move atoms at indices [3, 0, 2, 7] by [ 0.985 -0.451 3.07 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Te2Mo2W2Se4S2
_chemical_formula_sum "Te2 Mo2 W2 Se4 S2"
_cell_length_a 3.34167077
_cell_length_b 3.34167077
_cell_length_c 38.037908
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001524
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Te2Mo2W2Se4S2
_chemical_formula_sum "Te2 Mo2 W2 Se4 S2"
_cell_length_a 3.34167077
_cell_length_b 3.34167077
_cell_length_c 38.037908
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001524
_space_group_name_H-M_... |
MoveSelectedAtomsAction | b1240f3a-ac0b-49c1-8085-ce1f7bac139d | mp-1245133 | Move atoms at indices [44, 31, 76, 74, 51, 22, 56, 16, 11, 8, 2, 24, 40, 21, 52, 48, 9, 68, 45, 65, 62, 60, 54, 17, 12, 10, 4, 57, 19, 55, 58, 43, 3, 61, 64, 29, 35, 14, 77, 73, 53, 70, 30, 7, 37, 46, 13, 42, 26, 28, 69, 72, 20, 71, 25, 34, 6, 39] by [-2.581 0.377 -0.985] angstrom in the cif file. | data_image0
_chemical_formula_structural Sn40O40
_chemical_formula_sum "Sn40 O40"
_cell_length_a 11.74637383
_cell_length_b 12.838853849999998
_cell_length_c 11.717428899999998
_cell_angle_alpha 89.04503959
_cell_angle_beta 92.05166865
_cell_angle_gamma 88.32496439999998
... | data_image0
_chemical_formula_structural Sn40O40
_chemical_formula_sum "Sn40 O40"
_cell_length_a 11.74637383
_cell_length_b 12.838853849999998
_cell_length_c 11.717428899999998
_cell_angle_alpha 89.04503959
_cell_angle_beta 92.05166865
_cell_angle_gamma 88.32496439999998
... |
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