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 | 0aaffdf0-01da-4be7-be00-04951f7d347b | mp-630927 | Move atoms at indices [3, 6, 9, 10, 8, 5, 7] by [-0.225 1.229 -0.321] angstrom in the cif file. | data_image0
_chemical_formula_structural Pb4SeBr6
_chemical_formula_sum "Pb4 Se1 Br6"
_cell_length_a 9.65353821
_cell_length_b 9.65353821
_cell_length_c 10.17135553
_cell_angle_alpha 59.32996063
_cell_angle_beta 59.32996063
_cell_angle_gamma 26.429569669999996
_space_grou... | data_image0
_chemical_formula_structural Pb4SeBr6
_chemical_formula_sum "Pb4 Se1 Br6"
_cell_length_a 9.65353821
_cell_length_b 9.65353821
_cell_length_c 10.17135553
_cell_angle_alpha 59.32996063
_cell_angle_beta 59.32996063
_cell_angle_gamma 26.429569669999996
_space_grou... |
MoveSelectedAtomsAction | bd29d253-d9ec-446c-8bb0-8c2188fdd214 | mp-1213780 | Move atoms at indices [20, 7, 4, 13, 17, 18, 19, 14, 27, 28, 3, 0, 24, 25, 15, 6, 10, 1] by [-0.904 -0.602 -1.625] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr21Fe2C6
_chemical_formula_sum "Cr21 Fe2 C6"
_cell_length_a 7.46313307
_cell_length_b 7.46313307
_cell_length_c 7.46313307
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Cr21Fe2C6
_chemical_formula_sum "Cr21 Fe2 C6"
_cell_length_a 7.46313307
_cell_length_b 7.46313307
_cell_length_c 7.46313307
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... |
MoveSelectedAtomsAction | 62a07425-fa3c-4f95-9177-ee03e190cf5b | mp-2223637 | Move atoms at indices [3] by [-1.733 -2.356 4.99 ] angstrom in the cif file. | data_image0
_chemical_formula_structural MgFeCo2O6
_chemical_formula_sum "Mg1 Fe1 Co2 O6"
_cell_length_a 6.73399449
_cell_length_b 3.10796893
_cell_length_c 6.24380314
_cell_angle_alpha 90.0073151
_cell_angle_beta 108.12261319
_cell_angle_gamma 76.60926439
_space_group_na... | data_image0
_chemical_formula_structural MgFeCo2O6
_chemical_formula_sum "Mg1 Fe1 Co2 O6"
_cell_length_a 6.73399449
_cell_length_b 3.10796893
_cell_length_c 6.24380314
_cell_angle_alpha 90.0073151
_cell_angle_beta 108.12261319
_cell_angle_gamma 76.60926439
_space_group_na... |
MoveSelectedAtomsAction | 37689cb1-42c9-4b2a-b052-74671cb9d005 | mp-2232781 | Move atoms at indices [8, 16, 7, 4, 15, 14, 5, 11, 9, 1, 12, 3, 13, 10, 2, 0, 6] by [-2.02 1.28 1.955] angstrom in the cif file. | data_image0
_chemical_formula_structural MgTi4Pb2O9F2
_chemical_formula_sum "Mg1 Ti4 Pb2 O9 F2"
_cell_length_a 3.75899027
_cell_length_b 8.611130359999999
_cell_length_c 7.98888701
_cell_angle_alpha 88.15670280999998
_cell_angle_beta 76.39283241
_cell_angle_gamma 77.392941... | data_image0
_chemical_formula_structural MgTi4Pb2O9F2
_chemical_formula_sum "Mg1 Ti4 Pb2 O9 F2"
_cell_length_a 3.75899027
_cell_length_b 8.611130359999999
_cell_length_c 7.98888701
_cell_angle_alpha 88.15670280999998
_cell_angle_beta 76.39283241
_cell_angle_gamma 77.392941... |
MoveSelectedAtomsAction | d4b2c5b2-9e23-45c4-9130-e73f84188671 | mp-31070 | Move atoms at indices [31, 2, 5, 25, 6, 30, 11] by [ 0.511 -0.427 0.104] angstrom in the cif file. | data_image0
_chemical_formula_structural As16S18
_chemical_formula_sum "As16 S18"
_cell_length_a 9.38670426
_cell_length_b 9.93780597
_cell_length_c 10.152263380000003
_cell_angle_alpha 90.0
_cell_angle_beta 102.41598904999998
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural As16S18
_chemical_formula_sum "As16 S18"
_cell_length_a 9.38670426
_cell_length_b 9.93780597
_cell_length_c 10.152263380000003
_cell_angle_alpha 90.0
_cell_angle_beta 102.41598904999998
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveSelectedAtomsAction | e2543615-fa54-40f5-a007-fe7be08f7690 | mp-1246779 | Move atoms at indices [7, 8, 0, 25, 17, 12, 16, 11, 5, 4] by [-2.133 -0.322 1.423] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba10Hf4N12
_chemical_formula_sum "Ba10 Hf4 N12"
_cell_length_a 6.76065813
_cell_length_b 7.47593269
_cell_length_c 14.96414338
_cell_angle_alpha 89.99999939
_cell_angle_beta 95.29358311
_cell_angle_gamma 123.56617759
_space_group_n... | data_image0
_chemical_formula_structural Ba10Hf4N12
_chemical_formula_sum "Ba10 Hf4 N12"
_cell_length_a 6.76065813
_cell_length_b 7.47593269
_cell_length_c 14.96414338
_cell_angle_alpha 89.99999939
_cell_angle_beta 95.29358311
_cell_angle_gamma 123.56617759
_space_group_n... |
MoveSelectedAtomsAction | 68729223-daee-49ce-9aac-b2742899481b | mp-22642 | Move atoms at indices [31, 5, 29] by [ 0.341 1.917 -0.85 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr24Se12
_chemical_formula_sum "Zr24 Se12"
_cell_length_a 3.61959819
_cell_length_b 12.70888338
_cell_length_c 15.87225557
_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 Zr24Se12
_chemical_formula_sum "Zr24 Se12"
_cell_length_a 3.61959819
_cell_length_b 12.70888338
_cell_length_c 15.87225557
_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 | fee71ae0-1186-4770-a198-bdbf9b232212 | mp-1211929 | Move atoms at indices [26, 52, 55, 57, 73, 22, 47, 7, 12, 35, 56, 54, 25, 23, 62, 21, 1, 6, 13, 30, 77, 48, 20, 61, 14, 83, 34, 78, 65, 40, 44, 32, 60, 5, 51, 31, 64, 69, 3, 67, 58, 17, 80, 29, 0, 71, 36, 10, 66, 39, 46, 68, 4, 28, 63, 79, 49, 82, 27, 59, 18, 9, 42, 19, 74, 33, 45, 75, 11, 50, 37, 8, 16, 53, 43, 76, 38... | data_image0
_chemical_formula_structural K8Te4Mo8P8O56
_chemical_formula_sum "K8 Te4 Mo8 P8 O56"
_cell_length_a 8.63677716
_cell_length_b 11.09218661
_cell_length_c 12.55253392
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K8Te4Mo8P8O56
_chemical_formula_sum "K8 Te4 Mo8 P8 O56"
_cell_length_a 8.63677716
_cell_length_b 11.09218661
_cell_length_c 12.55253392
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 68d9e046-e0f7-40a9-b5a5-95a0a2d9b421 | mp-1223393 | Move atoms at indices [2] by [-2.037 0.517 -0.289] angstrom in the cif file. | data_image0
_chemical_formula_structural KRb2WO3F3
_chemical_formula_sum "K1 Rb2 W1 O3 F3"
_cell_length_a 6.49814455
_cell_length_b 6.46553491
_cell_length_c 6.42784386
_cell_angle_alpha 60.52792831
_cell_angle_beta 60.02307602
_cell_angle_gamma 59.44899567
_space_group_n... | data_image0
_chemical_formula_structural KRb2WO3F3
_chemical_formula_sum "K1 Rb2 W1 O3 F3"
_cell_length_a 6.49814455
_cell_length_b 6.46553491
_cell_length_c 6.42784386
_cell_angle_alpha 60.52792831
_cell_angle_beta 60.02307602
_cell_angle_gamma 59.44899567
_space_group_n... |
MoveSelectedAtomsAction | 9c014b40-347b-418b-87bd-32ee919c8beb | mp-1276118 | Move atoms at indices [22, 20, 12, 25, 10, 7, 27, 14, 2, 9, 18, 24, 0, 8, 5, 15, 11, 13, 21, 3, 1, 23, 26, 6, 16] by [ 1.229 -1.552 0.473] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr4Y4Co4O16
_chemical_formula_sum "Sr4 Y4 Co4 O16"
_cell_length_a 6.82662412
_cell_length_b 7.656220570000001
_cell_length_c 8.49591655
_cell_angle_alpha 116.01055158
_cell_angle_beta 68.13609192
_cell_angle_gamma 106.15056943
_spa... | data_image0
_chemical_formula_structural Sr4Y4Co4O16
_chemical_formula_sum "Sr4 Y4 Co4 O16"
_cell_length_a 6.82662412
_cell_length_b 7.656220570000001
_cell_length_c 8.49591655
_cell_angle_alpha 116.01055158
_cell_angle_beta 68.13609192
_cell_angle_gamma 106.15056943
_spa... |
MoveSelectedAtomsAction | 7c9fa4d9-2616-463b-99cd-cbaec420d9ec | mp-2218909 | Move atoms at indices [4, 2, 1, 11, 12, 3, 7, 10, 8, 6, 0, 9, 5] by [-1.19 0.747 1.883] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr3MgMn2O7
_chemical_formula_sum "Sr3 Mg1 Mn2 O7"
_cell_length_a 3.77905617
_cell_length_b 3.77905562
_cell_length_c 13.01065664
_cell_angle_alpha 98.35055135
_cell_angle_beta 98.35055005
_cell_angle_gamma 90.00000523999998
_space_... | data_image0
_chemical_formula_structural Sr3MgMn2O7
_chemical_formula_sum "Sr3 Mg1 Mn2 O7"
_cell_length_a 3.77905617
_cell_length_b 3.77905562
_cell_length_c 13.01065664
_cell_angle_alpha 98.35055135
_cell_angle_beta 98.35055005
_cell_angle_gamma 90.00000523999998
_space_... |
MoveSelectedAtomsAction | d718cf7d-d66f-4dbc-8a24-67bfb9133623 | mp-1043960 | Move atoms at indices [31, 41, 19, 40, 8, 3, 33, 39, 37, 12, 1, 7, 9, 34, 20, 36, 4, 13, 27, 26, 23, 38, 2, 35, 28, 21, 22, 24] by [ 0.703 -4.734 -0.465] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4Ti4P8O28
_chemical_formula_sum "Mg4 Ti4 P8 O28"
_cell_length_a 8.631157
_cell_length_b 7.049351
_cell_length_c 9.23377178
_cell_angle_alpha 66.35873965999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mg4Ti4P8O28
_chemical_formula_sum "Mg4 Ti4 P8 O28"
_cell_length_a 8.631157
_cell_length_b 7.049351
_cell_length_c 9.23377178
_cell_angle_alpha 66.35873965999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveSelectedAtomsAction | 2d3cfb85-5e91-444f-9c20-0e429137bb2f | mp-22781 | Move atoms at indices [1, 4, 3, 13, 8, 12, 23, 15, 22, 0, 17, 7, 27, 25, 18, 11, 19, 24, 20, 5, 10, 9, 6, 21, 26, 2, 14] by [-3.568 1.053 -1.484] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn8Ge4O16
_chemical_formula_sum "Mn8 Ge4 O16"
_cell_length_a 8.178338
_cell_length_b 8.178338
_cell_length_c 8.178338
_cell_angle_alpha 136.07069021
_cell_angle_beta 114.18747095
_cell_angle_gamma 82.53503784
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Mn8Ge4O16
_chemical_formula_sum "Mn8 Ge4 O16"
_cell_length_a 8.178338
_cell_length_b 8.178338
_cell_length_c 8.178338
_cell_angle_alpha 136.07069021
_cell_angle_beta 114.18747095
_cell_angle_gamma 82.53503784
_space_group_name_H-M_... |
MoveSelectedAtomsAction | e4badc09-7832-492c-9ba8-e156193741be | mp-608777 | Move atoms at indices [8, 5, 3] by [-0.515 0.726 -0.8 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Eu2In4As4
_chemical_formula_sum "Eu2 In4 As4"
_cell_length_a 4.23915125
_cell_length_b 4.23796063
_cell_length_c 17.92034937
_cell_angle_alpha 89.93312099999999
_cell_angle_beta 90.00959015000001
_cell_angle_gamma 119.98732054
_spa... | data_image0
_chemical_formula_structural Eu2In4As4
_chemical_formula_sum "Eu2 In4 As4"
_cell_length_a 4.23915125
_cell_length_b 4.23796063
_cell_length_c 17.92034937
_cell_angle_alpha 89.93312099999999
_cell_angle_beta 90.00959015000001
_cell_angle_gamma 119.98732054
_spa... |
MoveSelectedAtomsAction | ec049759-c85e-46ff-8d13-ecf5991d7a35 | mp-2232162 | Move atoms at indices [0, 14, 1, 13, 8, 2, 4, 3, 9] by [-0.294 3.229 0.369] angstrom in the cif file. | data_image0
_chemical_formula_structural MgNb4O10
_chemical_formula_sum "Mg1 Nb4 O10"
_cell_length_a 8.30773142
_cell_length_b 3.932432
_cell_length_c 6.61144076
_cell_angle_alpha 90.0
_cell_angle_beta 87.61814272000001
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural MgNb4O10
_chemical_formula_sum "Mg1 Nb4 O10"
_cell_length_a 8.30773142
_cell_length_b 3.932432
_cell_length_c 6.61144076
_cell_angle_alpha 90.0
_cell_angle_beta 87.61814272000001
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | ee1b446e-4b1d-485e-9bce-f4145fa7b9cd | mp-760360 | Move atoms at indices [6, 10, 13, 9, 15, 3, 1, 11, 2, 14, 4, 7, 5, 0, 12, 8] by [ 0.373 -0.768 1.404] angstrom in the cif file. | data_image0
_chemical_formula_structural Hf6N4O6
_chemical_formula_sum "Hf6 N4 O6"
_cell_length_a 5.67983701
_cell_length_b 5.67983701
_cell_length_c 10.735977
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 139.210018
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Hf6N4O6
_chemical_formula_sum "Hf6 N4 O6"
_cell_length_a 5.67983701
_cell_length_b 5.67983701
_cell_length_c 10.735977
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 139.210018
_space_group_name_H-M_alt "P 1"
_sp... |
MoveSelectedAtomsAction | d0a8c521-930a-4fc8-95b7-98b209f62e1a | mp-1211110 | Move atoms at indices [47, 75, 20, 23, 11, 46, 66, 50, 60, 32, 3, 25, 34, 56, 61, 6, 31, 57, 44, 27, 7, 53, 59, 40, 54, 64, 33, 51, 72, 13, 30, 42, 55, 41, 16, 8, 10, 26, 39, 17, 28, 48, 21, 74, 14, 29, 2, 43, 18, 9, 22, 69, 15, 65, 73, 58, 19] by [ 2.059 -0.194 4.224] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn8S12N8O48
_chemical_formula_sum "Mn8 S12 N8 O48"
_cell_length_a 10.086492
_cell_length_b 10.086492
_cell_length_c 10.086492
_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 Mn8S12N8O48
_chemical_formula_sum "Mn8 S12 N8 O48"
_cell_length_a 10.086492
_cell_length_b 10.086492
_cell_length_c 10.086492
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
MoveSelectedAtomsAction | de2f843c-fd89-48eb-bcc6-b0924fc108d4 | mp-1653728 | Move atoms at indices [11, 44, 15, 17, 7, 36, 0, 35, 4, 9, 26, 3, 2, 38, 27, 47, 34, 23, 28] by [-2.023 -0.803 -4.044] angstrom in the cif file. | data_image0
_chemical_formula_structural Li14Co10O24
_chemical_formula_sum "Li14 Co10 O24"
_cell_length_a 5.01463022
_cell_length_b 9.69793723
_cell_length_c 8.650324369999998
_cell_angle_alpha 89.87512266000002
_cell_angle_beta 90.14052971999999
_cell_angle_gamma 99.18866... | data_image0
_chemical_formula_structural Li14Co10O24
_chemical_formula_sum "Li14 Co10 O24"
_cell_length_a 5.01463022
_cell_length_b 9.69793723
_cell_length_c 8.650324369999998
_cell_angle_alpha 89.87512266000002
_cell_angle_beta 90.14052971999999
_cell_angle_gamma 99.18866... |
MoveSelectedAtomsAction | 6fdb2909-71a4-41bd-8d07-2524b950abb4 | mp-1189578 | Move atoms at indices [1, 11, 15, 16, 18] by [ 3.106 -3.61 -0.112] angstrom in the cif file. | data_image0
_chemical_formula_structural V4N4O12
_chemical_formula_sum "V4 N4 O12"
_cell_length_a 5.219632
_cell_length_b 12.524772
_cell_length_c 6.098239
_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 V4N4O12
_chemical_formula_sum "V4 N4 O12"
_cell_length_a 5.219632
_cell_length_b 12.524772
_cell_length_c 6.098239
_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 | 398cd9b7-9c2b-473b-ab70-98cdc5e9ada1 | mp-30447 | Move atoms at indices [39, 43, 20, 40, 12, 38, 5, 21, 17, 22, 13, 35, 23, 2, 31, 0, 41, 26] by [-0.803 2.3 -1.116] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr18Cd8Bi18
_chemical_formula_sum "Sr18 Cd8 Bi18"
_cell_length_a 4.92851629
_cell_length_b 13.3750904
_cell_length_c 23.587212490000002
_cell_angle_alpha 89.99999363
_cell_angle_beta 90.00000449
_cell_angle_gamma 90.00000158
_space... | data_image0
_chemical_formula_structural Sr18Cd8Bi18
_chemical_formula_sum "Sr18 Cd8 Bi18"
_cell_length_a 4.92851629
_cell_length_b 13.3750904
_cell_length_c 23.587212490000002
_cell_angle_alpha 89.99999363
_cell_angle_beta 90.00000449
_cell_angle_gamma 90.00000158
_space... |
MoveSelectedAtomsAction | 7bbc1b43-4664-4b64-9a40-c6b98246caeb | mp-1027824 | Move atoms at indices [14, 13, 10, 3, 0] by [0.739 1.016 0.876] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14VCu
_chemical_formula_sum "Mg14 V1 Cu1"
_cell_length_a 6.25959656
_cell_length_b 6.27222479
_cell_length_c 9.99336064
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.06676336999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg14VCu
_chemical_formula_sum "Mg14 V1 Cu1"
_cell_length_a 6.25959656
_cell_length_b 6.27222479
_cell_length_c 9.99336064
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.06676336999999
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | e44513ad-48c5-497d-bab4-5b15591e40c8 | mp-1028163 | Move atoms at indices [8, 4, 13, 7, 6, 10, 15, 9, 3, 1, 12, 0, 14, 11, 5, 2] by [0.445 0.989 2.095] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14AlBi
_chemical_formula_sum "Mg14 Al1 Bi1"
_cell_length_a 6.34066626
_cell_length_b 6.630739309999999
_cell_length_c 10.36912104
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.52523869000004
_space_group_name... | data_image0
_chemical_formula_structural Mg14AlBi
_chemical_formula_sum "Mg14 Al1 Bi1"
_cell_length_a 6.34066626
_cell_length_b 6.630739309999999
_cell_length_c 10.36912104
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.52523869000004
_space_group_name... |
MoveSelectedAtomsAction | 94c29b31-8258-4577-a240-ad2200b408e6 | mp-1105882 | Move atoms at indices [3, 2, 9, 8, 16, 12, 5, 13, 11, 1, 7] by [ 2.803 -2.329 -0.629] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb4Sb6Rh7
_chemical_formula_sum "Tb4 Sb6 Rh7"
_cell_length_a 7.58102333
_cell_length_b 7.58102333
_cell_length_c 7.581023330000001
_cell_angle_alpha 109.47122692999999
_cell_angle_beta 109.47120805
_cell_angle_gamma 109.47122693
_s... | data_image0
_chemical_formula_structural Tb4Sb6Rh7
_chemical_formula_sum "Tb4 Sb6 Rh7"
_cell_length_a 7.58102333
_cell_length_b 7.58102333
_cell_length_c 7.581023330000001
_cell_angle_alpha 109.47122692999999
_cell_angle_beta 109.47120805
_cell_angle_gamma 109.47122693
_s... |
MoveSelectedAtomsAction | 600cc1fa-c5bd-4df7-a8ff-668566bf1f0b | mp-1217155 | Move atoms at indices [12, 9, 2, 7, 10, 0, 3] by [ 0.268 -1.345 -1.89 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti4S8N
_chemical_formula_sum "Ti4 S8 N1"
_cell_length_a 3.420375
_cell_length_b 5.889162
_cell_length_c 14.79821434
_cell_angle_alpha 82.34504292
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Ti4S8N
_chemical_formula_sum "Ti4 S8 N1"
_cell_length_a 3.420375
_cell_length_b 5.889162
_cell_length_c 14.79821434
_cell_angle_alpha 82.34504292
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
MoveSelectedAtomsAction | f0f643c5-7c6e-495b-8016-959ab0307ee6 | mp-1195727 | Move atoms at indices [27, 4, 2, 38, 32, 28, 18, 17, 11, 1, 3, 31, 7, 12, 22, 46, 14, 21, 20, 15, 47, 35, 39, 26, 40, 9, 23, 29, 33, 6, 30, 5, 0, 34, 42, 24, 43, 44, 37, 10, 25, 45, 16, 36, 8, 41, 13] by [-0.94 1.871 -0.842] angstrom in the cif file. | data_image0
_chemical_formula_structural K8Ca2U2Si8O28
_chemical_formula_sum "K8 Ca2 U2 Si8 O28"
_cell_length_a 9.39128534
_cell_length_b 9.39128534
_cell_length_c 8.34630883
_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 K8Ca2U2Si8O28
_chemical_formula_sum "K8 Ca2 U2 Si8 O28"
_cell_length_a 9.39128534
_cell_length_b 9.39128534
_cell_length_c 8.34630883
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 2f540f0e-18a3-43ec-bb50-53705655c89a | mp-9107 | Move atoms at indices [0, 3] by [-1.741 -2.2 2.258] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2Zr2Cu2S6
_chemical_formula_sum "Na2 Zr2 Cu2 S6"
_cell_length_a 6.81193218
_cell_length_b 6.8119321799999994
_cell_length_c 9.80788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.38130313000002
_space_group_na... | data_image0
_chemical_formula_structural Na2Zr2Cu2S6
_chemical_formula_sum "Na2 Zr2 Cu2 S6"
_cell_length_a 6.81193218
_cell_length_b 6.8119321799999994
_cell_length_c 9.80788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.38130313000002
_space_group_na... |
MoveSelectedAtomsAction | a1f1bd0e-020e-4a18-b9e9-5715af21c3b2 | mp-1212178 | Move atoms at indices [81, 0, 33, 61, 10, 40, 65, 12, 39, 7, 14, 95, 53, 43, 8, 66, 17, 51, 9, 93, 79, 50, 35, 11, 62, 87, 88, 54, 6, 73, 75, 44, 41, 74, 89, 47, 59, 82, 63, 45, 38, 4, 76, 80, 60, 92, 15, 3, 94, 2, 52, 70, 57, 20, 29, 1] by [-1.264 0.242 2.521] angstrom in the cif file. | data_image0
_chemical_formula_structural In4H36S8O48
_chemical_formula_sum "In4 H36 S8 O48"
_cell_length_a 5.647747
_cell_length_b 10.086732
_cell_length_c 18.735869
_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 In4H36S8O48
_chemical_formula_sum "In4 H36 S8 O48"
_cell_length_a 5.647747
_cell_length_b 10.086732
_cell_length_c 18.735869
_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 | 8da735dc-e25c-46d6-aa9e-07c67bff3953 | mp-17822 | Move atoms at indices [5, 9, 20, 2, 32, 35, 15, 33, 34, 31, 4, 12, 23] by [-1.106 -0.752 -0.191] angstrom in the cif file. | data_image0
_chemical_formula_structural Dy8Mo4O24
_chemical_formula_sum "Dy8 Mo4 O24"
_cell_length_a 9.85730477
_cell_length_b 9.857304769999999
_cell_length_c 5.34113972
_cell_angle_alpha 74.85744461
_cell_angle_beta 74.85744461
_cell_angle_gamma 67.9590639
_space_group... | data_image0
_chemical_formula_structural Dy8Mo4O24
_chemical_formula_sum "Dy8 Mo4 O24"
_cell_length_a 9.85730477
_cell_length_b 9.857304769999999
_cell_length_c 5.34113972
_cell_angle_alpha 74.85744461
_cell_angle_beta 74.85744461
_cell_angle_gamma 67.9590639
_space_group... |
MoveSelectedAtomsAction | e1d775e1-7fbb-4c1b-8a26-08ce7fb47095 | mp-1181187 | Move atoms at indices [14, 34, 28, 37, 29, 10, 16, 12, 0, 30, 15, 40, 38, 5, 7, 31, 4, 25, 26, 33, 39] by [3.874 1.008 0.629] angstrom in the cif file. | data_image0
_chemical_formula_structural K8Mo2C8N8O16
_chemical_formula_sum "K8 Mo2 C8 N8 O16"
_cell_length_a 13.732543
_cell_length_b 6.884188
_cell_length_c 9.085398769999998
_cell_angle_alpha 71.5159349
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural K8Mo2C8N8O16
_chemical_formula_sum "K8 Mo2 C8 N8 O16"
_cell_length_a 13.732543
_cell_length_b 6.884188
_cell_length_c 9.085398769999998
_cell_angle_alpha 71.5159349
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
MoveSelectedAtomsAction | daf3b0fc-8c04-49fa-bbe9-cf1098b7ed4a | mp-17461 | Move atoms at indices [11, 31, 16, 39, 42, 25, 17, 24, 22, 9, 33, 21, 32] by [-1.657 -0.296 -1.3 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Ti4P8O28
_chemical_formula_sum "Na4 Ti4 P8 O28"
_cell_length_a 8.036569
_cell_length_b 7.479749
_cell_length_c 9.84832174
_cell_angle_alpha 68.32817444999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Na4Ti4P8O28
_chemical_formula_sum "Na4 Ti4 P8 O28"
_cell_length_a 8.036569
_cell_length_b 7.479749
_cell_length_c 9.84832174
_cell_angle_alpha 68.32817444999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveSelectedAtomsAction | a1ae5c1e-d917-4b5c-ad0d-9d8e72180f78 | mp-1213024 | Move atoms at indices [17, 24, 13, 16, 1, 3, 23, 8, 21, 15, 27, 5, 14, 10, 12, 22, 9, 0, 25] by [ 0.131 0.685 -1.385] angstrom in the cif file. | data_image0
_chemical_formula_structural Er4Ge6Pt18
_chemical_formula_sum "Er4 Ge6 Pt18"
_cell_length_a 7.81079378
_cell_length_b 7.81079378
_cell_length_c 10.08773752
_cell_angle_alpha 67.10766358
_cell_angle_beta 67.10766358
_cell_angle_gamma 60.213991459999995
_space_g... | data_image0
_chemical_formula_structural Er4Ge6Pt18
_chemical_formula_sum "Er4 Ge6 Pt18"
_cell_length_a 7.81079378
_cell_length_b 7.81079378
_cell_length_c 10.08773752
_cell_angle_alpha 67.10766358
_cell_angle_beta 67.10766358
_cell_angle_gamma 60.213991459999995
_space_g... |
MoveSelectedAtomsAction | bd98f52c-5117-4d10-9420-620dadab97cd | mp-1376216 | Move atoms at indices [10, 21, 2, 7, 8, 26, 17, 16, 14, 19, 27, 23, 5, 3] by [5.245 1.915 2.135] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4V8O16
_chemical_formula_sum "Mg4 V8 O16"
_cell_length_a 2.964384
_cell_length_b 9.169554
_cell_length_c 10.559834
_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 Mg4V8O16
_chemical_formula_sum "Mg4 V8 O16"
_cell_length_a 2.964384
_cell_length_b 9.169554
_cell_length_c 10.559834
_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 | bd5e27d6-3aab-4044-8d13-45fa3fed7d15 | mp-1239174 | Move atoms at indices [24, 27, 19, 22, 2, 10, 14, 20, 9, 7, 26] by [-0.167 2.655 -0.45 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti4Cr4Cu4S16
_chemical_formula_sum "Ti4 Cr4 Cu4 S16"
_cell_length_a 5.730751
_cell_length_b 7.036218
_cell_length_c 11.880694
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Ti4Cr4Cu4S16
_chemical_formula_sum "Ti4 Cr4 Cu4 S16"
_cell_length_a 5.730751
_cell_length_b 7.036218
_cell_length_c 11.880694
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
MoveSelectedAtomsAction | 17506403-1967-44d1-8970-255860f12c02 | mp-1046918 | Move atoms at indices [12, 10, 14, 2, 7, 4, 9, 8, 13, 3, 11, 5, 6, 0] by [0.971 0.002 1.008] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Ti4O8
_chemical_formula_sum "Ca4 Ti4 O8"
_cell_length_a 2.98719992
_cell_length_b 8.43779539
_cell_length_c 9.04107259
_cell_angle_alpha 85.8211923
_cell_angle_beta 80.76044051
_cell_angle_gamma 79.79836391000002
_space_group_na... | data_image0
_chemical_formula_structural Ca4Ti4O8
_chemical_formula_sum "Ca4 Ti4 O8"
_cell_length_a 2.98719992
_cell_length_b 8.43779539
_cell_length_c 9.04107259
_cell_angle_alpha 85.8211923
_cell_angle_beta 80.76044051
_cell_angle_gamma 79.79836391000002
_space_group_na... |
MoveSelectedAtomsAction | 0cdd5786-20ac-42ab-96f6-c32e49d519e2 | mp-1179245 | Move atoms at indices [17, 37, 2, 10, 6, 7, 23, 28, 34, 13, 25, 33, 9, 11, 15, 24, 22, 32, 16, 4, 3, 14, 35, 18, 29, 0, 27, 36, 20, 12, 8, 31, 1, 26, 21, 5, 19] by [-0.279 -0.106 -0.896] angstrom in the cif file. | data_image0
_chemical_formula_structural V6H12O20
_chemical_formula_sum "V6 H12 O20"
_cell_length_a 6.109909
_cell_length_b 8.90692701
_cell_length_c 9.072093930000001
_cell_angle_alpha 88.65203732
_cell_angle_beta 86.15278078
_cell_angle_gamma 81.7956423
_space_group_nam... | data_image0
_chemical_formula_structural V6H12O20
_chemical_formula_sum "V6 H12 O20"
_cell_length_a 6.109909
_cell_length_b 8.90692701
_cell_length_c 9.072093930000001
_cell_angle_alpha 88.65203732
_cell_angle_beta 86.15278078
_cell_angle_gamma 81.7956423
_space_group_nam... |
MoveSelectedAtomsAction | f47cf705-29e9-4e5d-bfbe-d7ec596511a8 | mp-1227202 | Move atoms at indices [0, 16, 10, 35, 18, 34, 4, 7, 30, 6, 27, 17, 28, 2, 31] by [ 1.151 -0.807 0.669] angstrom in the cif file. | data_image0
_chemical_formula_structural CaAl4Si8O24
_chemical_formula_sum "Ca1 Al4 Si8 O24"
_cell_length_a 5.220244
_cell_length_b 9.08413944
_cell_length_c 15.75302611
_cell_angle_alpha 106.48491115999998
_cell_angle_beta 99.41094523999999
_cell_angle_gamma 89.8090608
_... | data_image0
_chemical_formula_structural CaAl4Si8O24
_chemical_formula_sum "Ca1 Al4 Si8 O24"
_cell_length_a 5.220244
_cell_length_b 9.08413944
_cell_length_c 15.75302611
_cell_angle_alpha 106.48491115999998
_cell_angle_beta 99.41094523999999
_cell_angle_gamma 89.8090608
_... |
MoveSelectedAtomsAction | 4df13e5b-376a-427a-baa7-2d36621919e0 | mp-1194797 | Move atoms at indices [11, 37, 34, 3, 26, 25, 35, 13, 19, 10, 15, 29, 16, 43, 18, 20, 6, 30, 23, 21, 1, 17, 22, 31, 4, 9, 5, 45, 44, 39, 28, 40, 24, 12, 14, 41, 7, 8] by [ 2.47 -1.324 -1.108] angstrom in the cif file. | data_image0
_chemical_formula_structural Na8H12Se4O22
_chemical_formula_sum "Na8 H12 Se4 O22"
_cell_length_a 5.58353291
_cell_length_b 5.58353291
_cell_length_c 18.29789639
_cell_angle_alpha 96.74568174
_cell_angle_beta 96.74568174
_cell_angle_gamma 103.30429614
_space_gr... | data_image0
_chemical_formula_structural Na8H12Se4O22
_chemical_formula_sum "Na8 H12 Se4 O22"
_cell_length_a 5.58353291
_cell_length_b 5.58353291
_cell_length_c 18.29789639
_cell_angle_alpha 96.74568174
_cell_angle_beta 96.74568174
_cell_angle_gamma 103.30429614
_space_gr... |
MoveSelectedAtomsAction | 119ab334-c400-428a-b590-9a2ff3adbf15 | mp-755879 | Move atoms at indices [14, 19, 16] by [ 0.094 -0.929 -6.228] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe8O2F14
_chemical_formula_sum "Fe8 O2 F14"
_cell_length_a 5.84111594
_cell_length_b 5.841115939999999
_cell_length_c 9.30339359
_cell_angle_alpha 87.90472414000001
_cell_angle_beta 87.90472414000001
_cell_angle_gamma 72.45604279
_... | data_image0
_chemical_formula_structural Fe8O2F14
_chemical_formula_sum "Fe8 O2 F14"
_cell_length_a 5.84111594
_cell_length_b 5.841115939999999
_cell_length_c 9.30339359
_cell_angle_alpha 87.90472414000001
_cell_angle_beta 87.90472414000001
_cell_angle_gamma 72.45604279
_... |
MoveSelectedAtomsAction | 101853ef-1e23-47ba-b421-3633446a3832 | mp-1225642 | Move atoms at indices [8, 11, 5] by [0.296 1.837 1.28 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Eu2Al6Si3Au2
_chemical_formula_sum "Eu2 Al6 Si3 Au2"
_cell_length_a 13.56086181
_cell_length_b 13.560861810000002
_cell_length_c 13.56086181
_cell_angle_alpha 161.29687230999994
_cell_angle_beta 161.29687230999997
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Eu2Al6Si3Au2
_chemical_formula_sum "Eu2 Al6 Si3 Au2"
_cell_length_a 13.56086181
_cell_length_b 13.560861810000002
_cell_length_c 13.56086181
_cell_angle_alpha 161.29687230999994
_cell_angle_beta 161.29687230999997
_cell_angle_gamma ... |
MoveSelectedAtomsAction | 9bd179d2-974c-4eaf-bcb7-9d1ba6e221b3 | mp-1224446 | Move atoms at indices [2, 8, 6, 10, 11] by [-3.714 0.106 1.412] angstrom in the cif file. | data_image0
_chemical_formula_structural Hf3TaFe8
_chemical_formula_sum "Hf3 Ta1 Fe8"
_cell_length_a 4.94351674
_cell_length_b 4.94351723
_cell_length_c 8.06256995
_cell_angle_alpha 89.99999899
_cell_angle_beta 89.99998777
_cell_angle_gamma 119.99922461000001
_space_group... | data_image0
_chemical_formula_structural Hf3TaFe8
_chemical_formula_sum "Hf3 Ta1 Fe8"
_cell_length_a 4.94351674
_cell_length_b 4.94351723
_cell_length_c 8.06256995
_cell_angle_alpha 89.99999899
_cell_angle_beta 89.99998777
_cell_angle_gamma 119.99922461000001
_space_group... |
MoveSelectedAtomsAction | 2461fabb-962b-4797-b48e-512572f56be6 | mp-1111469 | Move atoms at indices [7, 3, 6, 0, 4, 1] by [ 0.516 -0.851 3.997] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2AgAuCl6
_chemical_formula_sum "Rb2 Ag1 Au1 Cl6"
_cell_length_a 7.30836578
_cell_length_b 7.30836578
_cell_length_c 7.30836578
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Rb2AgAuCl6
_chemical_formula_sum "Rb2 Ag1 Au1 Cl6"
_cell_length_a 7.30836578
_cell_length_b 7.30836578
_cell_length_c 7.30836578
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... |
MoveSelectedAtomsAction | bb09b6fb-0f49-4389-8aa5-9045d9d2ad97 | mp-34578 | Move atoms at indices [19, 44, 2, 4, 26, 47, 7, 22, 27, 8, 33, 28, 32, 13, 15, 5, 23, 1, 30, 29, 39, 10, 36, 34, 35, 43, 31, 9, 3, 16, 11, 0, 20, 46] by [-0.911 2.777 1.635] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba8Y6F34
_chemical_formula_sum "Ba8 Y6 F34"
_cell_length_a 9.30934256
_cell_length_b 9.28939294
_cell_length_c 9.37462646
_cell_angle_alpha 72.82400591
_cell_angle_beta 72.84749938
_cell_angle_gamma 72.95756218
_space_group_name_H-... | data_image0
_chemical_formula_structural Ba8Y6F34
_chemical_formula_sum "Ba8 Y6 F34"
_cell_length_a 9.30934256
_cell_length_b 9.28939294
_cell_length_c 9.37462646
_cell_angle_alpha 72.82400591
_cell_angle_beta 72.84749938
_cell_angle_gamma 72.95756218
_space_group_name_H-... |
MoveSelectedAtomsAction | d732175d-e052-4838-bbba-35f9f3e37390 | mp-1224145 | Move atoms at indices [3, 56, 59, 14, 66, 35, 62, 37, 0, 54, 48, 63, 58, 67, 38, 31, 34, 41, 46, 55, 40, 30, 52, 36, 39, 45, 51, 57, 16, 10, 7, 25, 60, 33, 15, 5, 17, 29, 21, 6, 12, 47, 64, 44, 49, 26, 65, 1, 2, 28, 20, 23, 50, 24, 42, 13, 4, 9, 18, 61, 8] by [-4.281 -4.532 -0.84 ] angstrom in the cif file. | data_image0
_chemical_formula_structural K8Mo8P8O44
_chemical_formula_sum "K8 Mo8 P8 O44"
_cell_length_a 10.3004
_cell_length_b 10.038354
_cell_length_c 10.06067308
_cell_angle_alpha 81.80227319
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural K8Mo8P8O44
_chemical_formula_sum "K8 Mo8 P8 O44"
_cell_length_a 10.3004
_cell_length_b 10.038354
_cell_length_c 10.06067308
_cell_angle_alpha 81.80227319
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveSelectedAtomsAction | 0c618b50-3fa5-4372-8e21-fa8f2b72cbfc | mp-2715503 | Move atoms at indices [10, 4, 48, 77, 55, 61, 24, 0, 17, 72, 62, 13, 33, 76, 28, 79, 75, 74, 69, 68, 1, 59, 40, 66, 56, 8, 54, 36, 38, 21, 44, 27, 67, 7, 37, 43, 22, 29] by [-2.557 2.216 1.11 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Na12Sc4Si4Ge4P8O48
_chemical_formula_sum "Na12 Sc4 Si4 Ge4 P8 O48"
_cell_length_a 15.35080669
_cell_length_b 8.9254299
_cell_length_c 8.96443612
_cell_angle_alpha 90.0
_cell_angle_beta 125.57317330999999
_cell_angle_gamma 90.0
_spa... | data_image0
_chemical_formula_structural Na12Sc4Si4Ge4P8O48
_chemical_formula_sum "Na12 Sc4 Si4 Ge4 P8 O48"
_cell_length_a 15.35080669
_cell_length_b 8.9254299
_cell_length_c 8.96443612
_cell_angle_alpha 90.0
_cell_angle_beta 125.57317330999999
_cell_angle_gamma 90.0
_spa... |
MoveSelectedAtomsAction | 1dfe407d-25d2-4b79-826b-5b687f22d06f | mp-1182686 | Move atoms at indices [38, 61, 32, 0, 28, 29, 10, 26, 66, 8, 16, 33, 62, 48, 36, 40, 35, 7, 4, 12, 11, 24, 27, 15, 69, 18, 31, 21, 56, 70, 6] by [-0.931 -3.277 -2.775] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe6S6O60
_chemical_formula_sum "Fe6 S6 O60"
_cell_length_a 13.56907058
_cell_length_b 13.56907058
_cell_length_c 13.56907039
_cell_angle_alpha 116.18078235999998
_cell_angle_beta 116.18078235999998
_cell_angle_gamma 116.180781239999... | data_image0
_chemical_formula_structural Fe6S6O60
_chemical_formula_sum "Fe6 S6 O60"
_cell_length_a 13.56907058
_cell_length_b 13.56907058
_cell_length_c 13.56907039
_cell_angle_alpha 116.18078235999998
_cell_angle_beta 116.18078235999998
_cell_angle_gamma 116.180781239999... |
MoveSelectedAtomsAction | de592638-46ec-4a08-bf20-d9a95333296e | mp-558595 | Move atoms at indices [14, 3, 19, 0, 16, 17, 4, 5, 10, 21, 13, 11, 20] by [ 0.914 -2.287 1.82 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba6Ru3Cl2O12
_chemical_formula_sum "Ba6 Ru3 Cl2 O12"
_cell_length_a 5.918419
_cell_length_b 5.91841994
_cell_length_c 15.047761
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000034000001
_space_group_name_H-M... | data_image0
_chemical_formula_structural Ba6Ru3Cl2O12
_chemical_formula_sum "Ba6 Ru3 Cl2 O12"
_cell_length_a 5.918419
_cell_length_b 5.91841994
_cell_length_c 15.047761
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000034000001
_space_group_name_H-M... |
MoveSelectedAtomsAction | 05353dab-21c2-4c79-aaaf-c3d19f182fca | mp-2241183 | Move atoms at indices [11, 5, 9] by [ 5.18 0.108 -1.377] angstrom in the cif file. | data_image0
_chemical_formula_structural MgNb3SiO10
_chemical_formula_sum "Mg1 Nb3 Si1 O10"
_cell_length_a 5.43041626
_cell_length_b 5.602910460000001
_cell_length_c 7.38994443
_cell_angle_alpha 107.93183047
_cell_angle_beta 110.36968069
_cell_angle_gamma 89.56181386000002... | data_image0
_chemical_formula_structural MgNb3SiO10
_chemical_formula_sum "Mg1 Nb3 Si1 O10"
_cell_length_a 5.43041626
_cell_length_b 5.602910460000001
_cell_length_c 7.38994443
_cell_angle_alpha 107.93183047
_cell_angle_beta 110.36968069
_cell_angle_gamma 89.56181386000002... |
MoveSelectedAtomsAction | 60053a7d-f5be-45bb-bd50-50f6b6d378f3 | mp-1193000 | Move atoms at indices [2, 5, 7, 10, 15, 20, 4, 22, 8, 18, 1, 16, 21, 9, 14, 19, 13, 11] by [-2.563 -1.396 3.62 ] angstrom in the cif file. | data_image0
_chemical_formula_structural NiC4S4N2O12
_chemical_formula_sum "Ni1 C4 S4 N2 O12"
_cell_length_a 9.90869488
_cell_length_b 8.05340079
_cell_length_c 7.573617939999999
_cell_angle_alpha 67.5170454
_cell_angle_beta 85.21804532
_cell_angle_gamma 66.76870820999999
... | data_image0
_chemical_formula_structural NiC4S4N2O12
_chemical_formula_sum "Ni1 C4 S4 N2 O12"
_cell_length_a 9.90869488
_cell_length_b 8.05340079
_cell_length_c 7.573617939999999
_cell_angle_alpha 67.5170454
_cell_angle_beta 85.21804532
_cell_angle_gamma 66.76870820999999
... |
MoveSelectedAtomsAction | c111a867-a816-4c7e-9f87-1596d293be61 | mp-5626 | Move atoms at indices [22, 21, 10, 20, 7, 19, 13, 4, 12, 9, 0, 3, 23, 11, 1, 5, 17] by [ 1.368 -0.482 -1.937] angstrom in the cif file. | data_image0
_chemical_formula_structural K12Sb4Te12
_chemical_formula_sum "K12 Sb4 Te12"
_cell_length_a 10.47095485
_cell_length_b 10.47095485
_cell_length_c 10.47095485
_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 K12Sb4Te12
_chemical_formula_sum "K12 Sb4 Te12"
_cell_length_a 10.47095485
_cell_length_b 10.47095485
_cell_length_c 10.47095485
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveSelectedAtomsAction | 6bcdd022-88fb-4818-9fc5-9a9452e386fb | mp-767632 | Move atoms at indices [22, 23, 1, 19, 17, 20, 10, 4, 7, 18, 15, 11, 0, 6, 8, 14, 3, 13, 16, 9, 2] by [ 1.39 -1.451 -5.453] angstrom in the cif file. | data_image0
_chemical_formula_structural V4P4O16
_chemical_formula_sum "V4 P4 O16"
_cell_length_a 4.69951386
_cell_length_b 8.649972239999999
_cell_length_c 6.47330008
_cell_angle_alpha 89.99962611
_cell_angle_beta 89.99705793
_cell_angle_gamma 89.99984569
_space_group_na... | data_image0
_chemical_formula_structural V4P4O16
_chemical_formula_sum "V4 P4 O16"
_cell_length_a 4.69951386
_cell_length_b 8.649972239999999
_cell_length_c 6.47330008
_cell_angle_alpha 89.99962611
_cell_angle_beta 89.99705793
_cell_angle_gamma 89.99984569
_space_group_na... |
MoveSelectedAtomsAction | aa905222-dc94-4c6b-a565-fb4acd1ed692 | mp-558805 | Move atoms at indices [10, 3, 2, 29, 26, 27, 36, 45, 47, 22, 17, 16, 13, 42, 31, 19, 33] by [-3.972 4.728 -0.311] angstrom in the cif file. | data_image0
_chemical_formula_structural Na12Nd4B8O24
_chemical_formula_sum "Na12 Nd4 B8 O24"
_cell_length_a 8.881597
_cell_length_b 6.671646
_cell_length_c 12.18936188
_cell_angle_alpha 57.77745432999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Na12Nd4B8O24
_chemical_formula_sum "Na12 Nd4 B8 O24"
_cell_length_a 8.881597
_cell_length_b 6.671646
_cell_length_c 12.18936188
_cell_angle_alpha 57.77745432999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveSelectedAtomsAction | 4260347b-e6bd-4308-b21f-b48afabbba48 | mp-1212178 | Move atoms at indices [71, 93, 36, 27, 50, 23, 13, 83, 35, 86, 4, 78, 77, 9, 49, 18, 94, 74, 67, 59, 84, 3, 15, 51, 29, 19, 79, 90, 80, 66, 8, 69, 43, 28, 52, 42, 87, 45, 70, 25, 46, 63, 62, 73, 22, 65, 34, 39, 31, 82, 56, 91, 61, 41, 30, 38, 72, 53, 16, 44, 95, 1, 5, 37, 85, 10, 89, 54, 0, 68, 33, 14, 11, 76, 24, 6, 5... | data_image0
_chemical_formula_structural In4H36S8O48
_chemical_formula_sum "In4 H36 S8 O48"
_cell_length_a 5.647747
_cell_length_b 10.086732
_cell_length_c 18.735869
_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 In4H36S8O48
_chemical_formula_sum "In4 H36 S8 O48"
_cell_length_a 5.647747
_cell_length_b 10.086732
_cell_length_c 18.735869
_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 | 81b71d2b-a927-41ef-a110-68a9f19efe06 | mp-1245513 | Move atoms at indices [11, 18, 0, 31, 32, 7, 14, 8, 20, 1, 30, 15, 26, 4, 23, 17, 22, 19, 5, 2, 27, 3, 25, 28, 10, 9] by [-1.102 2.101 -2.371] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe16Te12N8
_chemical_formula_sum "Fe16 Te12 N8"
_cell_length_a 6.179044
_cell_length_b 10.515917
_cell_length_c 9.10105
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural Fe16Te12N8
_chemical_formula_sum "Fe16 Te12 N8"
_cell_length_a 6.179044
_cell_length_b 10.515917
_cell_length_c 9.10105
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... |
MoveSelectedAtomsAction | 37485045-c39d-4323-8f6e-d0c57c621c27 | mp-771733 | Move atoms at indices [12, 22, 11, 27, 5, 0, 26, 13, 3] by [-3.439 0.384 -2.641] angstrom in the cif file. | data_image0
_chemical_formula_structural Li3MgV8O16
_chemical_formula_sum "Li3 Mg1 V8 O16"
_cell_length_a 5.99800606
_cell_length_b 5.99800606
_cell_length_c 10.32123589
_cell_angle_alpha 74.18392686
_cell_angle_beta 74.18392686
_cell_angle_gamma 60.4045385
_space_group_n... | data_image0
_chemical_formula_structural Li3MgV8O16
_chemical_formula_sum "Li3 Mg1 V8 O16"
_cell_length_a 5.99800606
_cell_length_b 5.99800606
_cell_length_c 10.32123589
_cell_angle_alpha 74.18392686
_cell_angle_beta 74.18392686
_cell_angle_gamma 60.4045385
_space_group_n... |
MoveSelectedAtomsAction | ec7f4f6b-3f95-4b55-b30b-edfa2fc5e12a | mp-557497 | Move atoms at indices [78, 39, 47, 58, 62, 76, 3, 28, 65, 27, 8, 74, 46, 31, 67, 22, 32, 51, 61, 68, 4, 14, 79, 52, 43, 53, 20, 36, 83, 33, 57, 19, 18, 48, 26, 1, 5] by [ 1.884 -2.524 3.216] angstrom in the cif file. | data_image0
_chemical_formula_structural Pr4Nb22O60
_chemical_formula_sum "Pr4 Nb22 O60"
_cell_length_a 6.32548054
_cell_length_b 6.32548054
_cell_length_c 32.95791
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000570000002
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Pr4Nb22O60
_chemical_formula_sum "Pr4 Nb22 O60"
_cell_length_a 6.32548054
_cell_length_b 6.32548054
_cell_length_c 32.95791
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000570000002
_space_group_name_H-M_alt... |
MoveSelectedAtomsAction | b6c93264-10b9-4e62-a31d-4b93a90d041c | mp-1175308 | Move atoms at indices [26, 6, 31, 43, 41, 37, 11, 3, 39, 20, 23, 2, 7, 5, 34, 22, 9, 14, 45, 35, 38, 12, 47, 13, 30, 21, 40] by [-1.535 3.741 2.739] angstrom in the cif file. | data_image0
_chemical_formula_structural Li14Mn10O24
_chemical_formula_sum "Li14 Mn10 O24"
_cell_length_a 6.4604732
_cell_length_b 9.30408087
_cell_length_c 7.7911714
_cell_angle_alpha 71.89936080999999
_cell_angle_beta 89.76486087999999
_cell_angle_gamma 82.70632592999999... | data_image0
_chemical_formula_structural Li14Mn10O24
_chemical_formula_sum "Li14 Mn10 O24"
_cell_length_a 6.4604732
_cell_length_b 9.30408087
_cell_length_c 7.7911714
_cell_angle_alpha 71.89936080999999
_cell_angle_beta 89.76486087999999
_cell_angle_gamma 82.70632592999999... |
MoveSelectedAtomsAction | 8374c240-64db-49e0-a3d6-2c999a7efa28 | mp-29802 | Move atoms at indices [9, 50, 33, 32, 28, 31, 12, 22, 39, 25, 2, 45, 47, 38, 5, 15, 34, 36, 29, 42, 26, 21, 24, 19, 20, 8, 17, 13] by [ 3.912 0.354 -2.051] angstrom in the cif file. | data_image0
_chemical_formula_structural Sc4Ni24Ge24
_chemical_formula_sum "Sc4 Ni24 Ge24"
_cell_length_a 10.21227785
_cell_length_b 10.21227785
_cell_length_c 7.825573
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999899999999
_space_group_name_H-M... | data_image0
_chemical_formula_structural Sc4Ni24Ge24
_chemical_formula_sum "Sc4 Ni24 Ge24"
_cell_length_a 10.21227785
_cell_length_b 10.21227785
_cell_length_c 7.825573
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999899999999
_space_group_name_H-M... |
MoveSelectedAtomsAction | 26c34493-4811-4586-9720-08824712c218 | mp-766361 | Move atoms at indices [18, 35, 57, 31, 6, 62, 21, 60, 40, 28, 12, 22, 65, 5, 50, 2, 30, 67, 38, 1, 33, 51, 19, 55, 7, 45, 25, 68, 9, 61, 8, 27, 29, 16, 15, 20, 13, 64, 52] by [-2.203 -1.953 -1.781] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb20O50
_chemical_formula_sum "Nb20 O50"
_cell_length_a 11.51573649
_cell_length_b 7.73121522
_cell_length_c 11.39097549
_cell_angle_alpha 99.72313305
_cell_angle_beta 92.01661777
_cell_angle_gamma 80.29335282
_space_group_name_H-M... | data_image0
_chemical_formula_structural Nb20O50
_chemical_formula_sum "Nb20 O50"
_cell_length_a 11.51573649
_cell_length_b 7.73121522
_cell_length_c 11.39097549
_cell_angle_alpha 99.72313305
_cell_angle_beta 92.01661777
_cell_angle_gamma 80.29335282
_space_group_name_H-M... |
MoveSelectedAtomsAction | ba607995-0a90-44c1-ac49-59905cf4b426 | mp-867658 | Move atoms at indices [0, 49, 54, 34, 60, 37, 32, 64, 68, 17, 2, 63, 21, 46, 19, 51, 47, 67, 61, 43, 39, 26, 10, 62, 42, 35, 44, 52, 3, 8] by [-0.239 1.045 -2.188] angstrom in the cif file. | data_image0
_chemical_formula_structural La14Mn13O42
_chemical_formula_sum "La14 Mn13 O42"
_cell_length_a 9.68085979
_cell_length_b 9.680859790000001
_cell_length_c 9.680859540000002
_cell_angle_alpha 100.23966913
_cell_angle_beta 100.23966913
_cell_angle_gamma 100.2396779... | data_image0
_chemical_formula_structural La14Mn13O42
_chemical_formula_sum "La14 Mn13 O42"
_cell_length_a 9.68085979
_cell_length_b 9.680859790000001
_cell_length_c 9.680859540000002
_cell_angle_alpha 100.23966913
_cell_angle_beta 100.23966913
_cell_angle_gamma 100.2396779... |
MoveSelectedAtomsAction | ac315317-9920-4b7d-b3c2-96bf5056b0ef | mp-759150 | Move atoms at indices [10, 3] by [ 1.09 -0.454 1.951] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V4O4F8
_chemical_formula_sum "Li4 V4 O4 F8"
_cell_length_a 6.62309501
_cell_length_b 6.62309501
_cell_length_c 5.33985558
_cell_angle_alpha 83.85118766
_cell_angle_beta 83.85118766
_cell_angle_gamma 84.91793557999999
_space_grou... | data_image0
_chemical_formula_structural Li4V4O4F8
_chemical_formula_sum "Li4 V4 O4 F8"
_cell_length_a 6.62309501
_cell_length_b 6.62309501
_cell_length_c 5.33985558
_cell_angle_alpha 83.85118766
_cell_angle_beta 83.85118766
_cell_angle_gamma 84.91793557999999
_space_grou... |
MoveSelectedAtomsAction | 5516537e-285d-4822-8615-029becb90d5a | mp-1931800 | Move atoms at indices [14, 37, 12, 24, 1, 5, 2, 23, 16, 7, 8, 26, 18, 29, 32] by [ 2.728 -1.12 6.108] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn13Si2Sb2O28
_chemical_formula_sum "Mn13 Si2 Sb2 O28"
_cell_length_a 5.58741782
_cell_length_b 8.845506150000002
_cell_length_c 11.7537536
_cell_angle_alpha 87.52253614
_cell_angle_beta 76.10954976
_cell_angle_gamma 79.00803492
_s... | data_image0
_chemical_formula_structural Mn13Si2Sb2O28
_chemical_formula_sum "Mn13 Si2 Sb2 O28"
_cell_length_a 5.58741782
_cell_length_b 8.845506150000002
_cell_length_c 11.7537536
_cell_angle_alpha 87.52253614
_cell_angle_beta 76.10954976
_cell_angle_gamma 79.00803492
_s... |
MoveSelectedAtomsAction | 310fd149-1d89-43d3-a55b-0744eee14f4d | mp-770874 | Move atoms at indices [53, 45, 22, 52, 48, 23, 8, 49, 32, 55] by [-1.012 -1.929 2.065] angstrom in the cif file. | data_image0
_chemical_formula_structural Na12Co4P2C8O32
_chemical_formula_sum "Na12 Co4 P2 C8 O32"
_cell_length_a 9.86786888
_cell_length_b 9.86786888
_cell_length_c 9.86786888
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999... | data_image0
_chemical_formula_structural Na12Co4P2C8O32
_chemical_formula_sum "Na12 Co4 P2 C8 O32"
_cell_length_a 9.86786888
_cell_length_b 9.86786888
_cell_length_c 9.86786888
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999... |
MoveSelectedAtomsAction | 2bf2b175-13b0-44b5-8028-0229e182e2ad | mp-766445 | Move atoms at indices [25, 0, 4, 27, 16, 21, 18, 12] by [ 0.598 2.314 -1.645] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn8Co4O16
_chemical_formula_sum "Mn8 Co4 O16"
_cell_length_a 6.164401
_cell_length_b 6.1974534
_cell_length_c 8.270759199999999
_cell_angle_alpha 89.91114268
_cell_angle_beta 89.58925047
_cell_angle_gamma 83.98382736
_space_group_n... | data_image0
_chemical_formula_structural Mn8Co4O16
_chemical_formula_sum "Mn8 Co4 O16"
_cell_length_a 6.164401
_cell_length_b 6.1974534
_cell_length_c 8.270759199999999
_cell_angle_alpha 89.91114268
_cell_angle_beta 89.58925047
_cell_angle_gamma 83.98382736
_space_group_n... |
MoveSelectedAtomsAction | 914ae9ca-03a0-4cb0-9e89-c2ac376fa2b2 | mp-695305 | Move atoms at indices [62, 66, 9, 50, 63, 10, 38, 15, 42, 54, 33, 41, 69, 59, 64, 45, 27, 60, 25, 68, 2, 46] by [-0.157 -3.51 -0.737] angstrom in the cif file. | data_image0
_chemical_formula_structural Na8C8S8O24F24
_chemical_formula_sum "Na8 C8 S8 O24 F24"
_cell_length_a 10.220978
_cell_length_b 11.03350717
_cell_length_c 11.33079768
_cell_angle_alpha 101.24554006
_cell_angle_beta 105.05376919
_cell_angle_gamma 110.72370447
_spa... | data_image0
_chemical_formula_structural Na8C8S8O24F24
_chemical_formula_sum "Na8 C8 S8 O24 F24"
_cell_length_a 10.220978
_cell_length_b 11.03350717
_cell_length_c 11.33079768
_cell_angle_alpha 101.24554006
_cell_angle_beta 105.05376919
_cell_angle_gamma 110.72370447
_spa... |
MoveSelectedAtomsAction | 271653da-c00d-4db3-9573-9c405f232dce | mp-989647 | Move atoms at indices [0, 2, 11, 18, 5, 9, 1, 16, 19, 3, 17, 8, 13, 6, 15] by [ 0.156 -0.165 2.988] angstrom in the cif file. | data_image0
_chemical_formula_structural Y4Re4N12
_chemical_formula_sum "Y4 Re4 N12"
_cell_length_a 5.3829449
_cell_length_b 5.59557393
_cell_length_c 7.68551211
_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 Y4Re4N12
_chemical_formula_sum "Y4 Re4 N12"
_cell_length_a 5.3829449
_cell_length_b 5.59557393
_cell_length_c 7.68551211
_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 | 920f1b86-d83a-42dd-8ede-abe6941fac72 | mp-27382 | Move atoms at indices [8, 34, 3, 0, 55, 23, 10, 44, 32, 20, 12, 38, 4, 13, 21, 1, 37, 5, 47, 29, 26, 43, 7, 54, 9, 19, 28, 22, 51, 41, 17, 14] by [-3.571 -0.522 1.618] angstrom in the cif file. | data_image0
_chemical_formula_structural U8Tl8F40
_chemical_formula_sum "U8 Tl8 F40"
_cell_length_a 13.7278367
_cell_length_b 8.20459056
_cell_length_c 8.2607243
_cell_angle_alpha 78.05179443
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural U8Tl8F40
_chemical_formula_sum "U8 Tl8 F40"
_cell_length_a 13.7278367
_cell_length_b 8.20459056
_cell_length_c 8.2607243
_cell_angle_alpha 78.05179443
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveSelectedAtomsAction | 2eca4e95-dbf5-46ab-ba54-218764263205 | mp-558603 | Move atoms at indices [16, 27, 3, 25, 14, 20, 29, 13, 21, 18, 15, 10, 17, 12, 2, 23, 6, 22, 26, 1, 4, 24, 19, 9, 5, 28, 8, 11, 7] by [-2.978 0.227 1.574] angstrom in the cif file. | data_image0
_chemical_formula_structural K4Si8O18
_chemical_formula_sum "K4 Si8 O18"
_cell_length_a 4.93890481
_cell_length_b 8.34642066
_cell_length_c 12.1241052
_cell_angle_alpha 71.14050658
_cell_angle_beta 89.68090569
_cell_angle_gamma 89.07631855999999
_space_group_n... | data_image0
_chemical_formula_structural K4Si8O18
_chemical_formula_sum "K4 Si8 O18"
_cell_length_a 4.93890481
_cell_length_b 8.34642066
_cell_length_c 12.1241052
_cell_angle_alpha 71.14050658
_cell_angle_beta 89.68090569
_cell_angle_gamma 89.07631855999999
_space_group_n... |
MoveSelectedAtomsAction | 90b77f47-2651-4288-8ab2-57b4e5a5f400 | mp-29075 | Move atoms at indices [31, 38, 25, 39, 19, 5, 4, 6, 36, 34, 15, 35, 13, 18, 12, 11, 16, 28, 17, 22, 3, 20, 2] by [ 3.009 0.49 -2.23 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ga6Bi10Cl24
_chemical_formula_sum "Ga6 Bi10 Cl24"
_cell_length_a 12.22153651
_cell_length_b 12.22153651
_cell_length_c 12.22153664
_cell_angle_alpha 58.18940720000001
_cell_angle_beta 58.1894072
_cell_angle_gamma 58.18940156
_space... | data_image0
_chemical_formula_structural Ga6Bi10Cl24
_chemical_formula_sum "Ga6 Bi10 Cl24"
_cell_length_a 12.22153651
_cell_length_b 12.22153651
_cell_length_c 12.22153664
_cell_angle_alpha 58.18940720000001
_cell_angle_beta 58.1894072
_cell_angle_gamma 58.18940156
_space... |
MoveSelectedAtomsAction | 30965751-0b6e-4588-b5c5-63b68145bf04 | mp-2228762 | Move atoms at indices [7, 6, 2, 13] by [-1.143 1.998 1.624] angstrom in the cif file. | data_image0
_chemical_formula_structural K3NaMgCr2O8
_chemical_formula_sum "K3 Na1 Mg1 Cr2 O8"
_cell_length_a 6.05065711
_cell_length_b 6.05065662
_cell_length_c 7.70127928
_cell_angle_alpha 88.76603326
_cell_angle_beta 91.23396669
_cell_angle_gamma 113.67298096
_space_gr... | data_image0
_chemical_formula_structural K3NaMgCr2O8
_chemical_formula_sum "K3 Na1 Mg1 Cr2 O8"
_cell_length_a 6.05065711
_cell_length_b 6.05065662
_cell_length_c 7.70127928
_cell_angle_alpha 88.76603326
_cell_angle_beta 91.23396669
_cell_angle_gamma 113.67298096
_space_gr... |
MoveSelectedAtomsAction | 645f78e8-37d0-413e-be0c-b08549d2c2ca | mp-1207958 | Move atoms at indices [6, 11, 4, 10, 2, 8, 9, 7, 5, 1] by [ 1.173 -0.749 0.694] angstrom in the cif file. | data_image0
_chemical_formula_structural Tm4Zn4Sn4
_chemical_formula_sum "Tm4 Zn4 Sn4"
_cell_length_a 4.4215127
_cell_length_b 4.4215127
_cell_length_c 15.82754761
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999371
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Tm4Zn4Sn4
_chemical_formula_sum "Tm4 Zn4 Sn4"
_cell_length_a 4.4215127
_cell_length_b 4.4215127
_cell_length_c 15.82754761
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999371
_space_group_name_H-M_alt "P ... |
MoveSelectedAtomsAction | abe147de-889f-4869-82f0-a89b4d40612f | mp-1206107 | Move atoms at indices [7, 2, 4, 1, 6, 0, 9, 8] by [ 0.504 -0.83 1.47 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ho4Cd2Pd4
_chemical_formula_sum "Ho4 Cd2 Pd4"
_cell_length_a 7.67014499
_cell_length_b 7.67014499
_cell_length_c 3.65393564
_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 Ho4Cd2Pd4
_chemical_formula_sum "Ho4 Cd2 Pd4"
_cell_length_a 7.67014499
_cell_length_b 7.67014499
_cell_length_c 3.65393564
_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 | f042dfc1-b3a8-48fa-9f67-f4b5c71732a5 | mp-28179 | Move atoms at indices [23, 29, 20, 7, 13, 1, 5] by [-3.054 -2.048 -1.38 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Ta4Cl24
_chemical_formula_sum "Na4 Ta4 Cl24"
_cell_length_a 6.90728656
_cell_length_b 6.46103936
_cell_length_c 19.22184359
_cell_angle_alpha 88.37225246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na4Ta4Cl24
_chemical_formula_sum "Na4 Ta4 Cl24"
_cell_length_a 6.90728656
_cell_length_b 6.46103936
_cell_length_c 19.22184359
_cell_angle_alpha 88.37225246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 513347f0-812e-4120-8fca-26c32357aca6 | mp-1248873 | Move atoms at indices [10, 11, 16, 0, 6, 12, 19, 4] by [ 1.239 1.62 -2.286] angstrom in the cif file. | data_image0
_chemical_formula_structural Al4Ni4O14
_chemical_formula_sum "Al4 Ni4 O14"
_cell_length_a 6.48146945
_cell_length_b 6.48146945
_cell_length_c 6.4814694500000005
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural Al4Ni4O14
_chemical_formula_sum "Al4 Ni4 O14"
_cell_length_a 6.48146945
_cell_length_b 6.48146945
_cell_length_c 6.4814694500000005
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 59.99999999... |
MoveSelectedAtomsAction | 110b2a65-bd96-4a71-80cb-b6e335496884 | mp-1021689 | Move atoms at indices [9, 13, 14, 6, 4, 8, 1, 15, 0, 3, 7, 11, 12, 2, 5, 10] by [ 3.111 -0.506 -1.128] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg12V2W2
_chemical_formula_sum "Mg12 V2 W2"
_cell_length_a 4.735365
_cell_length_b 5.972519
_cell_length_c 10.970908
_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 Mg12V2W2
_chemical_formula_sum "Mg12 V2 W2"
_cell_length_a 4.735365
_cell_length_b 5.972519
_cell_length_c 10.970908
_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 | 7ce89e8e-b657-4e5c-8192-2dd9aa948a09 | mp-1196042 | Move atoms at indices [24, 0, 60, 3, 5, 35, 9, 50, 7, 57] by [ 1.818 2.879 -2.808] angstrom in the cif file. | data_image0
_chemical_formula_structural Na4H36Pt2N12F12
_chemical_formula_sum "Na4 H36 Pt2 N12 F12"
_cell_length_a 8.85184657
_cell_length_b 8.85184657
_cell_length_c 12.09539409
_cell_angle_alpha 98.80362747
_cell_angle_beta 103.44069572
_cell_angle_gamma 118.24613566
_... | data_image0
_chemical_formula_structural Na4H36Pt2N12F12
_chemical_formula_sum "Na4 H36 Pt2 N12 F12"
_cell_length_a 8.85184657
_cell_length_b 8.85184657
_cell_length_c 12.09539409
_cell_angle_alpha 98.80362747
_cell_angle_beta 103.44069572
_cell_angle_gamma 118.24613566
_... |
MoveSelectedAtomsAction | 304eac03-b6eb-4d20-8aaf-98136b6080d7 | mp-1096432 | Move atoms at indices [8, 48, 9, 60, 1, 15, 67, 55, 62, 26, 70, 71, 4, 43, 49, 2, 28, 13, 5, 27, 10, 30, 21, 50, 53, 63, 40, 35, 29, 46, 23, 24, 14, 36, 38, 16, 3, 18, 32, 42, 61, 39, 19] by [-0.926 -2.822 3.135] angstrom in the cif file. | data_image0
_chemical_formula_structural Ce24Se48
_chemical_formula_sum "Ce24 Se48"
_cell_length_a 16.69883571
_cell_length_b 16.69883571
_cell_length_c 16.69883571
_cell_angle_alpha 109.47122039
_cell_angle_beta 109.47122076
_cell_angle_gamma 109.47122076
_space_group_na... | data_image0
_chemical_formula_structural Ce24Se48
_chemical_formula_sum "Ce24 Se48"
_cell_length_a 16.69883571
_cell_length_b 16.69883571
_cell_length_c 16.69883571
_cell_angle_alpha 109.47122039
_cell_angle_beta 109.47122076
_cell_angle_gamma 109.47122076
_space_group_na... |
MoveSelectedAtomsAction | b09713ce-5501-491c-80d4-8a3f4351311d | mp-3653 | Move atoms at indices [16, 7, 11, 1, 10, 8] by [-2.743 -0.427 -3.145] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg2Sb4O12
_chemical_formula_sum "Mg2 Sb4 O12"
_cell_length_a 4.66240552
_cell_length_b 4.66240552
_cell_length_c 9.26369198
_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 Mg2Sb4O12
_chemical_formula_sum "Mg2 Sb4 O12"
_cell_length_a 4.66240552
_cell_length_b 4.66240552
_cell_length_c 9.26369198
_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 | 94654ddd-dfaf-4839-9815-52f56bf9647f | mp-1220551 | Move atoms at indices [26, 0, 2, 16] by [-1.014 -1.766 -1.625] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb4AgBi5O18
_chemical_formula_sum "Nb4 Ag1 Bi5 O18"
_cell_length_a 12.9369977
_cell_length_b 12.9369977
_cell_length_c 5.60818359
_cell_angle_alpha 89.83000878
_cell_angle_beta 89.83000878
_cell_angle_gamma 155.1355268
_space_group... | data_image0
_chemical_formula_structural Nb4AgBi5O18
_chemical_formula_sum "Nb4 Ag1 Bi5 O18"
_cell_length_a 12.9369977
_cell_length_b 12.9369977
_cell_length_c 5.60818359
_cell_angle_alpha 89.83000878
_cell_angle_beta 89.83000878
_cell_angle_gamma 155.1355268
_space_group... |
MoveSelectedAtomsAction | 55e85153-fdc7-46b1-bc17-c64bdd35e614 | mp-1246932 | Move atoms at indices [35, 18, 43, 7, 13, 14, 20, 23, 41, 8, 25, 31, 32, 17, 49, 55, 37, 47, 3, 42, 28, 54, 16, 12, 26, 44, 21, 34, 39, 29, 1, 10, 33, 50, 6, 45, 38, 24, 36, 30, 52, 27, 22, 2, 46, 5, 0, 4, 51] by [-1.256 4.076 -1.687] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba28Hf4N24
_chemical_formula_sum "Ba28 Hf4 N24"
_cell_length_a 12.513275
_cell_length_b 7.275755
_cell_length_c 14.957083
_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 Ba28Hf4N24
_chemical_formula_sum "Ba28 Hf4 N24"
_cell_length_a 12.513275
_cell_length_b 7.275755
_cell_length_c 14.957083
_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 | 18c892a9-6a46-4b29-b042-17acf6fcd35e | mp-1225659 | Move atoms at indices [1, 5, 0, 2, 4, 6, 3, 8, 10, 11] by [-1.487 1.298 0.608] angstrom in the cif file. | data_image0
_chemical_formula_structural Er4Al4Ni4
_chemical_formula_sum "Er4 Al4 Ni4"
_cell_length_a 5.31931795
_cell_length_b 5.31931795
_cell_length_c 8.463712
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.38260463000002
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Er4Al4Ni4
_chemical_formula_sum "Er4 Al4 Ni4"
_cell_length_a 5.31931795
_cell_length_b 5.31931795
_cell_length_c 8.463712
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.38260463000002
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | c5464e74-5671-479d-8647-e280335e7223 | mp-1227615 | Move atoms at indices [19, 15, 17, 12, 28, 9, 11, 24, 13, 5, 3, 14, 25, 1, 21, 27, 22, 2, 20, 16, 4, 29, 26, 8, 0, 7, 6, 23] by [ 2.75 -0.241 0.968] angstrom in the cif file. | data_image0
_chemical_formula_structural Ce4ZrCo25
_chemical_formula_sum "Ce4 Zr1 Co25"
_cell_length_a 4.00569073
_cell_length_b 4.85437428
_cell_length_c 21.19516167
_cell_angle_alpha 96.43421040999999
_cell_angle_beta 89.99720571
_cell_angle_gamma 90.01281617
_space_gro... | data_image0
_chemical_formula_structural Ce4ZrCo25
_chemical_formula_sum "Ce4 Zr1 Co25"
_cell_length_a 4.00569073
_cell_length_b 4.85437428
_cell_length_c 21.19516167
_cell_angle_alpha 96.43421040999999
_cell_angle_beta 89.99720571
_cell_angle_gamma 90.01281617
_space_gro... |
MoveSelectedAtomsAction | 6cb81c9c-8743-4516-b6bf-ce646526e1ba | mp-554918 | Move atoms at indices [12, 0, 23, 34, 10, 41, 36, 16, 21, 1, 29, 26, 11, 9, 17, 25, 24, 13, 2, 37, 4, 15, 32, 19, 8, 5, 30, 28, 6, 38, 33, 31] by [1.569 4.191 0.01 ] angstrom in the cif file. | data_image0
_chemical_formula_structural BaY6Si3B6O24F2
_chemical_formula_sum "Ba1 Y6 Si3 B6 O24 F2"
_cell_length_a 10.73728785
_cell_length_b 10.73728785
_cell_length_c 4.749868
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999906000001
_space_grou... | data_image0
_chemical_formula_structural BaY6Si3B6O24F2
_chemical_formula_sum "Ba1 Y6 Si3 B6 O24 F2"
_cell_length_a 10.73728785
_cell_length_b 10.73728785
_cell_length_c 4.749868
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999906000001
_space_grou... |
MoveSelectedAtomsAction | 01654d8f-f2b7-4bab-8415-aa5286bf664e | mp-17691 | Move atoms at indices [13, 21, 11, 10, 5, 4, 27, 22, 7, 26, 12, 16, 24, 15, 17, 2, 14, 19, 0, 3, 18, 6, 9, 8, 25, 20] by [-2.067 -1.084 -1.194] angstrom in the cif file. | data_image0
_chemical_formula_structural Cu12Sb4S12
_chemical_formula_sum "Cu12 Sb4 S12"
_cell_length_a 6.541463
_cell_length_b 8.099059
_cell_length_c 10.268644
_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 Cu12Sb4S12
_chemical_formula_sum "Cu12 Sb4 S12"
_cell_length_a 6.541463
_cell_length_b 8.099059
_cell_length_c 10.268644
_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 | 991eec42-2aee-475a-920f-3b01dc354fbd | mp-621667 | Move atoms at indices [1, 0, 9, 6, 4, 7, 8] by [-0.102 0.892 0.925] angstrom in the cif file. | data_image0
_chemical_formula_structural Eu6Ag4
_chemical_formula_sum "Eu6 Ag4"
_cell_length_a 4.3545106
_cell_length_b 8.43465072
_cell_length_c 8.43467834
_cell_angle_alpha 89.99643163
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Eu6Ag4
_chemical_formula_sum "Eu6 Ag4"
_cell_length_a 4.3545106
_cell_length_b 8.43465072
_cell_length_c 8.43467834
_cell_angle_alpha 89.99643163
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
MoveSelectedAtomsAction | d6def79c-93b9-403c-8a15-4a1a5afa7316 | mp-1019788 | Move atoms at indices [3, 36, 27, 33, 24, 5, 35, 21, 17, 29, 6, 32, 42, 41, 40, 14, 26, 15, 37, 25, 43, 4, 39, 7, 22] by [-1.453 -0.835 1.756] angstrom in the cif file. | data_image0
_chemical_formula_structural K8Al6Si6O24
_chemical_formula_sum "K8 Al6 Si6 O24"
_cell_length_a 9.36018
_cell_length_b 9.36018
_cell_length_c 9.36018
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural K8Al6Si6O24
_chemical_formula_sum "K8 Al6 Si6 O24"
_cell_length_a 9.36018
_cell_length_b 9.36018
_cell_length_c 9.36018
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... |
MoveSelectedAtomsAction | 7a004eb7-22ed-4ae2-b641-d1e9ea7bcea2 | mp-767632 | Move atoms at indices [23, 1, 19, 11, 2, 17, 7, 9, 15, 13, 12, 14] by [-2.254 1.036 0.53 ] angstrom in the cif file. | data_image0
_chemical_formula_structural V4P4O16
_chemical_formula_sum "V4 P4 O16"
_cell_length_a 4.69951386
_cell_length_b 8.649972239999999
_cell_length_c 6.47330008
_cell_angle_alpha 89.99962611
_cell_angle_beta 89.99705793
_cell_angle_gamma 89.99984569
_space_group_na... | data_image0
_chemical_formula_structural V4P4O16
_chemical_formula_sum "V4 P4 O16"
_cell_length_a 4.69951386
_cell_length_b 8.649972239999999
_cell_length_c 6.47330008
_cell_angle_alpha 89.99962611
_cell_angle_beta 89.99705793
_cell_angle_gamma 89.99984569
_space_group_na... |
MoveSelectedAtomsAction | f119bc13-73e4-4f38-8525-7ec2ebb1b1d8 | mp-757805 | Move atoms at indices [0, 32, 25, 3, 6, 28, 15, 33, 4, 34, 7, 22, 30, 1, 19, 13, 27, 29, 26, 12, 35, 16, 21, 8, 17, 14, 11, 24, 10, 9, 20, 23, 5, 18] by [ 0.973 -0.307 -0.135] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2V2P8O24
_chemical_formula_sum "Li2 V2 P8 O24"
_cell_length_a 8.754209
_cell_length_b 7.018316
_cell_length_c 7.40438013
_cell_angle_alpha 85.73515165999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li2V2P8O24
_chemical_formula_sum "Li2 V2 P8 O24"
_cell_length_a 8.754209
_cell_length_b 7.018316
_cell_length_c 7.40438013
_cell_angle_alpha 85.73515165999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 7439ea76-a402-4550-acd3-685938029bf1 | mp-765591 | Move atoms at indices [13, 3, 5, 19, 10, 20, 23, 1, 17, 26, 14, 9, 8, 21, 7, 15, 16, 24] by [ 1.65 -1.034 -0.178] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Fe4P4O16
_chemical_formula_sum "Li4 Fe4 P4 O16"
_cell_length_a 5.05822604
_cell_length_b 8.24699336
_cell_length_c 9.06029745
_cell_angle_alpha 89.96633369
_cell_angle_beta 90.01279964
_cell_angle_gamma 89.99466227
_space_group_... | data_image0
_chemical_formula_structural Li4Fe4P4O16
_chemical_formula_sum "Li4 Fe4 P4 O16"
_cell_length_a 5.05822604
_cell_length_b 8.24699336
_cell_length_c 9.06029745
_cell_angle_alpha 89.96633369
_cell_angle_beta 90.01279964
_cell_angle_gamma 89.99466227
_space_group_... |
MoveSelectedAtomsAction | 5f57ce1b-54a4-49af-8304-47ba2cbe3002 | mp-571242 | Move atoms at indices [15, 10, 25, 5, 6, 20, 9, 26, 8, 0, 12, 11, 21, 19, 2, 3, 16, 27, 4] by [-2.195 0.847 -0.3 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb8Co4Cl16
_chemical_formula_sum "Rb8 Co4 Cl16"
_cell_length_a 7.387085
_cell_length_b 9.38057
_cell_length_c 12.932925
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural Rb8Co4Cl16
_chemical_formula_sum "Rb8 Co4 Cl16"
_cell_length_a 7.387085
_cell_length_b 9.38057
_cell_length_c 12.932925
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... |
MoveSelectedAtomsAction | a37e2fdc-9b2e-47c5-834d-0b51bd2acc8f | mp-1202898 | Move atoms at indices [12, 13, 41, 32, 5, 10, 23, 3, 0, 9, 26, 21, 29, 17, 15, 8, 36, 42, 20, 28, 31, 14, 38, 27, 39, 40, 33, 6, 16, 43, 22, 4, 30, 25, 7, 2, 34, 35, 1, 19, 24, 37, 11] by [-0.802 1.271 -0.036] angstrom in the cif file. | data_image0
_chemical_formula_structural In4As8N4O28
_chemical_formula_sum "In4 As8 N4 O28"
_cell_length_a 7.972815
_cell_length_b 8.74179331
_cell_length_c 10.948333010000002
_cell_angle_alpha 87.01058685000001
_cell_angle_beta 85.01541869
_cell_angle_gamma 73.74469812
_... | data_image0
_chemical_formula_structural In4As8N4O28
_chemical_formula_sum "In4 As8 N4 O28"
_cell_length_a 7.972815
_cell_length_b 8.74179331
_cell_length_c 10.948333010000002
_cell_angle_alpha 87.01058685000001
_cell_angle_beta 85.01541869
_cell_angle_gamma 73.74469812
_... |
MoveSelectedAtomsAction | 1a0d0b25-7ef9-4192-b43f-1319dbbeae37 | mp-1098369 | Move atoms at indices [13, 3, 53, 58, 43, 15, 46, 63, 24, 48, 14, 54, 40, 38, 45, 9, 21, 4, 47, 20, 22, 50, 27, 12, 16, 41, 37, 62, 59, 31, 10, 36, 30, 32, 7, 52, 33, 5, 29, 17, 51, 39, 42, 57, 26, 60, 23, 55, 1, 56, 8, 34, 25, 61, 19, 44, 35, 28, 11, 2] by [-1.43 -0.939 0.747] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg30TiCrO32
_chemical_formula_sum "Mg30 Ti1 Cr1 O32"
_cell_length_a 8.596304
_cell_length_b 8.514833
_cell_length_c 8.514833
_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 Mg30TiCrO32
_chemical_formula_sum "Mg30 Ti1 Cr1 O32"
_cell_length_a 8.596304
_cell_length_b 8.514833
_cell_length_c 8.514833
_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 | c4b251ab-0038-47ec-8ef3-4722e1276f4f | mp-756331 | Move atoms at indices [6, 25, 8, 19, 17, 10, 3, 27, 18, 12, 26, 7, 2, 4, 20] by [ 1.838 -0.922 0.224] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Ti3Co5O16
_chemical_formula_sum "Li4 Ti3 Co5 O16"
_cell_length_a 5.72685104
_cell_length_b 5.726851039999999
_cell_length_c 9.31004518
_cell_angle_alpha 89.68678152000001
_cell_angle_beta 89.68678152000001
_cell_angle_gamma 60.89... | data_image0
_chemical_formula_structural Li4Ti3Co5O16
_chemical_formula_sum "Li4 Ti3 Co5 O16"
_cell_length_a 5.72685104
_cell_length_b 5.726851039999999
_cell_length_c 9.31004518
_cell_angle_alpha 89.68678152000001
_cell_angle_beta 89.68678152000001
_cell_angle_gamma 60.89... |
MoveSelectedAtomsAction | cedb9310-dc55-40b7-8065-75598fc21602 | mp-1225219 | Move atoms at indices [11, 7, 1, 12, 2, 8, 5, 0] by [2.053 2.064 1.094] angstrom in the cif file. | data_image0
_chemical_formula_structural EuAl8SiAu4
_chemical_formula_sum "Eu1 Al8 Si1 Au4"
_cell_length_a 4.294821
_cell_length_b 4.294821
_cell_length_c 14.472911
_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 EuAl8SiAu4
_chemical_formula_sum "Eu1 Al8 Si1 Au4"
_cell_length_a 4.294821
_cell_length_b 4.294821
_cell_length_c 14.472911
_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 | 0bdf15ab-8c81-4ea5-b979-24bf66c10052 | mp-753611 | Move atoms at indices [13, 12, 8, 0, 5, 6, 14, 10, 7, 2, 3, 15, 9, 19, 17, 1, 11] by [-0.515 -1.274 -0.602] angstrom in the cif file. | data_image0
_chemical_formula_structural P4Cl12O4
_chemical_formula_sum "P4 Cl12 O4"
_cell_length_a 5.969239
_cell_length_b 9.504725
_cell_length_c 12.104269
_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 P4Cl12O4
_chemical_formula_sum "P4 Cl12 O4"
_cell_length_a 5.969239
_cell_length_b 9.504725
_cell_length_c 12.104269
_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 | e83a2aa7-4d45-4414-99d9-26ba7bf43d57 | mp-567566 | Move atoms at indices [5, 0, 14, 8, 7, 18, 17, 13, 19, 4, 3, 2, 1, 16, 10] by [ 0.578 -0.944 0.733] angstrom in the cif file. | data_image0
_chemical_formula_structural Ho7FeI12
_chemical_formula_sum "Ho7 Fe1 I12"
_cell_length_a 9.63303313
_cell_length_b 9.63303336
_cell_length_c 9.633033229999999
_cell_angle_alpha 107.05682541
_cell_angle_beta 107.05682423
_cell_angle_gamma 107.05683085
_space_gr... | data_image0
_chemical_formula_structural Ho7FeI12
_chemical_formula_sum "Ho7 Fe1 I12"
_cell_length_a 9.63303313
_cell_length_b 9.63303336
_cell_length_c 9.633033229999999
_cell_angle_alpha 107.05682541
_cell_angle_beta 107.05682423
_cell_angle_gamma 107.05683085
_space_gr... |
MoveSelectedAtomsAction | 06875e5b-84b6-40d5-9fad-5cf663ff9071 | mp-28198 | Move atoms at indices [2, 31, 13, 9, 21, 28, 3, 6, 10, 17, 29, 7, 5, 8] by [-0.342 0.502 -0.646] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb6In6I24
_chemical_formula_sum "Rb6 In6 I24"
_cell_length_a 14.75622459
_cell_length_b 14.75622459
_cell_length_c 14.75622438
_cell_angle_alpha 115.16539673
_cell_angle_beta 115.16539673
_cell_angle_gamma 115.16540856
_space_group... | data_image0
_chemical_formula_structural Rb6In6I24
_chemical_formula_sum "Rb6 In6 I24"
_cell_length_a 14.75622459
_cell_length_b 14.75622459
_cell_length_c 14.75622438
_cell_angle_alpha 115.16539673
_cell_angle_beta 115.16539673
_cell_angle_gamma 115.16540856
_space_group... |
MoveSelectedAtomsAction | 1c8f0f4d-2397-4cd9-86df-35749f44f542 | mp-758495 | Move atoms at indices [25, 4, 8, 9, 17, 24, 18, 29, 27, 12, 11, 36, 44, 3, 47, 31, 7, 51, 32, 28, 49, 26, 5, 35, 19, 20, 46, 48, 45, 22, 14, 1, 40, 23, 21, 30, 33, 2] by [-0.783 -0.288 -1.112] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Co8C8O28
_chemical_formula_sum "Li8 Co8 C8 O28"
_cell_length_a 6.246944
_cell_length_b 8.914788
_cell_length_c 10.60852576
_cell_angle_alpha 67.07172826
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li8Co8C8O28
_chemical_formula_sum "Li8 Co8 C8 O28"
_cell_length_a 6.246944
_cell_length_b 8.914788
_cell_length_c 10.60852576
_cell_angle_alpha 67.07172826
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | d4aed2a0-c98e-4ba0-b2be-c5860c5038f6 | mp-22703 | Move atoms at indices [22, 21, 12] by [ 1.457 2.029 -2.998] angstrom in the cif file. | data_image0
_chemical_formula_structural Ni16Ge4B6
_chemical_formula_sum "Ni16 Ge4 B6"
_cell_length_a 2.9315389
_cell_length_b 6.01224193
_cell_length_c 14.5180414
_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 Ni16Ge4B6
_chemical_formula_sum "Ni16 Ge4 B6"
_cell_length_a 2.9315389
_cell_length_b 6.01224193
_cell_length_c 14.5180414
_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 | dd7b3b6f-1175-43f7-968c-ab7ce19ea8a3 | mp-27413 | Move atoms at indices [4, 8, 11, 5, 1, 12, 9, 0, 7, 6, 2] by [-0.187 3.148 2.542] angstrom in the cif file. | data_image0
_chemical_formula_structural Mo8P5
_chemical_formula_sum "Mo8 P5"
_cell_length_a 3.20104694
_cell_length_b 6.54649934
_cell_length_c 9.411014490000001
_cell_angle_alpha 109.52020593
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Mo8P5
_chemical_formula_sum "Mo8 P5"
_cell_length_a 3.20104694
_cell_length_b 6.54649934
_cell_length_c 9.411014490000001
_cell_angle_alpha 109.52020593
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveSelectedAtomsAction | d707ab60-92f2-4101-a50b-5f670f9ba9f3 | mp-11639 | Move atoms at indices [8] by [-2.935 -0.299 0.574] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb4Ge2S6
_chemical_formula_sum "Rb4 Ge2 S6"
_cell_length_a 6.94579339
_cell_length_b 7.60679798
_cell_length_c 8.73518639
_cell_angle_alpha 72.50630257999998
_cell_angle_beta 66.57329911000001
_cell_angle_gamma 62.83517662
_space_g... | data_image0
_chemical_formula_structural Rb4Ge2S6
_chemical_formula_sum "Rb4 Ge2 S6"
_cell_length_a 6.94579339
_cell_length_b 7.60679798
_cell_length_c 8.73518639
_cell_angle_alpha 72.50630257999998
_cell_angle_beta 66.57329911000001
_cell_angle_gamma 62.83517662
_space_g... |
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