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 | 8fe868cd-fe36-46b7-b83d-1ae4643e8ad0 | mp-767746 | Move atoms at indices [14, 13, 29, 10, 15, 23, 2, 27, 12, 16, 1, 31, 11, 20, 0, 19, 30, 22, 24, 4, 5, 32, 26, 18] by [0.829 3.087 3.004] angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Mn2Fe3O16
_chemical_formula_sum "Li12 Mn2 Fe3 O16"
_cell_length_a 5.817165
_cell_length_b 5.85858233
_cell_length_c 9.735296369999999
_cell_angle_alpha 91.61792386
_cell_angle_beta 89.71965537
_cell_angle_gamma 118.8913581400000... | data_image0
_chemical_formula_structural Li12Mn2Fe3O16
_chemical_formula_sum "Li12 Mn2 Fe3 O16"
_cell_length_a 5.817165
_cell_length_b 5.85858233
_cell_length_c 9.735296369999999
_cell_angle_alpha 91.61792386
_cell_angle_beta 89.71965537
_cell_angle_gamma 118.8913581400000... |
MoveSelectedAtomsAction | 9d0f6fd5-c9cb-4b8c-99da-79d4da8280c0 | mp-1200969 | Move atoms at indices [39, 26, 29, 38, 16, 53, 3, 1, 67, 65, 11, 66, 2, 57, 45, 46, 19, 63, 36, 54, 8, 42, 23] by [ 4.879 -0.964 1.364] angstrom in the cif file. | data_image0
_chemical_formula_structural B12Pb12N4O40
_chemical_formula_sum "B12 Pb12 N4 O40"
_cell_length_a 8.00912257
_cell_length_b 10.36721178
_cell_length_c 11.09580079
_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 B12Pb12N4O40
_chemical_formula_sum "B12 Pb12 N4 O40"
_cell_length_a 8.00912257
_cell_length_b 10.36721178
_cell_length_c 11.09580079
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | 5b5e42fc-31f1-46e0-a844-42fd5f27b76b | mp-1197716 | Move atoms at indices [33, 38, 29, 79, 65, 45, 19, 24, 47, 41, 32, 39, 77, 58, 43, 46, 49, 40, 8, 64] by [-3.446 -1.033 -2.192] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba8Cu8Si16O48
_chemical_formula_sum "Ba8 Cu8 Si16 O48"
_cell_length_a 13.44587733
_cell_length_b 13.44587733
_cell_length_c 13.445877329999998
_cell_angle_alpha 135.94699827000002
_cell_angle_beta 135.94699827000002
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Ba8Cu8Si16O48
_chemical_formula_sum "Ba8 Cu8 Si16 O48"
_cell_length_a 13.44587733
_cell_length_b 13.44587733
_cell_length_c 13.445877329999998
_cell_angle_alpha 135.94699827000002
_cell_angle_beta 135.94699827000002
_cell_angle_gamma ... |
MoveSelectedAtomsAction | 73c3acf7-fdd4-45ab-8f85-f9ba423bd593 | mp-753628 | Move atoms at indices [7, 5, 4, 10, 14, 9, 12, 13, 0, 2, 1, 3] by [ 3.449 2.153 -0.503] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2V2F12
_chemical_formula_sum "Li2 V2 F12"
_cell_length_a 5.44742697
_cell_length_b 5.44742697
_cell_length_c 8.669945
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.90096331
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Li2V2F12
_chemical_formula_sum "Li2 V2 F12"
_cell_length_a 5.44742697
_cell_length_b 5.44742697
_cell_length_c 8.669945
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.90096331
_space_group_name_H-M_alt "P 1"
... |
MoveSelectedAtomsAction | a0497021-d5f5-4188-8dd8-cf9f422d4cab | mp-1239137 | Move atoms at indices [48, 12, 2, 8, 30, 22, 15, 19, 31, 26, 7, 17, 6, 23, 52, 47, 33, 50, 11, 37, 45, 1, 36, 55, 0, 35, 49, 20, 29, 43, 44, 53, 13, 3, 46, 21, 40, 28, 18, 24, 32, 16, 34, 14, 27, 25] by [-0.589 -0.323 0.223] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr8Cr8Cu8S32
_chemical_formula_sum "Zr8 Cr8 Cu8 S32"
_cell_length_a 11.760433
_cell_length_b 7.059517
_cell_length_c 12.452601
_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 Zr8Cr8Cu8S32
_chemical_formula_sum "Zr8 Cr8 Cu8 S32"
_cell_length_a 11.760433
_cell_length_b 7.059517
_cell_length_c 12.452601
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveSelectedAtomsAction | d29e656a-7f74-4ecb-90bb-ee902674f3a4 | mp-1211877 | Move atoms at indices [20, 13, 27, 7, 3, 11, 12, 18, 21, 26, 19, 5, 28, 9, 1, 2, 0, 25, 29, 14, 23, 6, 4, 16, 10] by [-0.246 -2.123 -1.883] angstrom in the cif file. | data_image0
_chemical_formula_structural K4P2H6Se2O16
_chemical_formula_sum "K4 P2 H6 Se2 O16"
_cell_length_a 7.602825
_cell_length_b 7.395724
_cell_length_c 9.70472644
_cell_angle_alpha 51.12925917
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4P2H6Se2O16
_chemical_formula_sum "K4 P2 H6 Se2 O16"
_cell_length_a 7.602825
_cell_length_b 7.395724
_cell_length_c 9.70472644
_cell_angle_alpha 51.12925917
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 6b72fe22-b60b-46ea-a74c-c53d28bf7ae7 | mp-555576 | Move atoms at indices [1, 17, 11] by [ 2.459 1.142 -0.667] angstrom in the cif file. | data_image0
_chemical_formula_structural K2Na2S4O14
_chemical_formula_sum "K2 Na2 S4 O14"
_cell_length_a 5.85706293
_cell_length_b 7.10730219
_cell_length_c 7.37603274
_cell_angle_alpha 100.9043664
_cell_angle_beta 90.40115408
_cell_angle_gamma 95.20157045
_space_group_na... | data_image0
_chemical_formula_structural K2Na2S4O14
_chemical_formula_sum "K2 Na2 S4 O14"
_cell_length_a 5.85706293
_cell_length_b 7.10730219
_cell_length_c 7.37603274
_cell_angle_alpha 100.9043664
_cell_angle_beta 90.40115408
_cell_angle_gamma 95.20157045
_space_group_na... |
MoveSelectedAtomsAction | 3c584f8c-7c86-41e2-9881-b2648e0ad2e1 | mp-1113179 | Move atoms at indices [7, 8, 3, 4, 6] by [ 1.432 -3.402 1.142] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2HgBiF6
_chemical_formula_sum "Cs2 Hg1 Bi1 F6"
_cell_length_a 6.92489611
_cell_length_b 6.92489611
_cell_length_c 6.92489611
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Cs2HgBiF6
_chemical_formula_sum "Cs2 Hg1 Bi1 F6"
_cell_length_a 6.92489611
_cell_length_b 6.92489611
_cell_length_c 6.92489611
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... |
MoveSelectedAtomsAction | 09ab6c06-1b17-40cf-aacf-2a797be0017d | mp-19140 | Move atoms at indices [31, 17, 15, 18, 14] by [ 1.679 -0.722 0.153] angstrom in the cif file. | data_image0
_chemical_formula_structural K12Mn4O16
_chemical_formula_sum "K12 Mn4 O16"
_cell_length_a 6.49865786
_cell_length_b 10.836143570000003
_cell_length_c 9.493722039999998
_cell_angle_alpha 67.4691507
_cell_angle_beta 89.95728003
_cell_angle_gamma 107.3793927899999... | data_image0
_chemical_formula_structural K12Mn4O16
_chemical_formula_sum "K12 Mn4 O16"
_cell_length_a 6.49865786
_cell_length_b 10.836143570000003
_cell_length_c 9.493722039999998
_cell_angle_alpha 67.4691507
_cell_angle_beta 89.95728003
_cell_angle_gamma 107.3793927899999... |
MoveSelectedAtomsAction | a8c21619-17d6-4d13-9b93-6a26d912694b | mp-9619 | Move atoms at indices [5, 16, 1, 14, 8, 3, 4, 9, 10] by [ 2.225 -1.394 -2.502] angstrom in the cif file. | data_image0
_chemical_formula_structural ThFe4P12
_chemical_formula_sum "Th1 Fe4 P12"
_cell_length_a 6.73149237
_cell_length_b 6.73149087
_cell_length_c 6.73149244
_cell_angle_alpha 109.47121618
_cell_angle_beta 109.47121161
_cell_angle_gamma 109.47122107
_space_group_nam... | data_image0
_chemical_formula_structural ThFe4P12
_chemical_formula_sum "Th1 Fe4 P12"
_cell_length_a 6.73149237
_cell_length_b 6.73149087
_cell_length_c 6.73149244
_cell_angle_alpha 109.47121618
_cell_angle_beta 109.47121161
_cell_angle_gamma 109.47122107
_space_group_nam... |
MoveSelectedAtomsAction | 56bd6301-5b72-40c9-ae2e-2449e615dd65 | mp-1099764 | Move atoms at indices [3, 8, 6, 15, 4, 5, 0, 16, 13, 1, 2, 11] by [ 0.972 -0.615 -1.317] angstrom in the cif file. | data_image0
_chemical_formula_structural K4Ta4O10
_chemical_formula_sum "K4 Ta4 O10"
_cell_length_a 9.00318401
_cell_length_b 9.00318401
_cell_length_c 9.00318401
_cell_angle_alpha 142.81336667
_cell_angle_beta 142.66744489
_cell_angle_gamma 53.71515557
_space_group_name_... | data_image0
_chemical_formula_structural K4Ta4O10
_chemical_formula_sum "K4 Ta4 O10"
_cell_length_a 9.00318401
_cell_length_b 9.00318401
_cell_length_c 9.00318401
_cell_angle_alpha 142.81336667
_cell_angle_beta 142.66744489
_cell_angle_gamma 53.71515557
_space_group_name_... |
MoveSelectedAtomsAction | 9e4dea5c-2e85-40e6-97cf-6b6010ad6ff4 | mp-699431 | Move atoms at indices [18, 15, 14, 2, 16, 25, 27, 11, 3, 8, 9, 23, 22, 5, 26, 13, 4, 28] by [0.216 1.228 0.104] angstrom in the cif file. | data_image0
_chemical_formula_structural Al2H8Se4O16
_chemical_formula_sum "Al2 H8 Se4 O16"
_cell_length_a 6.640272
_cell_length_b 7.408615
_cell_length_c 8.922044719999999
_cell_angle_alpha 54.03288984999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Al2H8Se4O16
_chemical_formula_sum "Al2 H8 Se4 O16"
_cell_length_a 6.640272
_cell_length_b 7.408615
_cell_length_c 8.922044719999999
_cell_angle_alpha 54.03288984999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
MoveSelectedAtomsAction | d7cf586a-cd9d-4419-9c5b-bcd7bd70ae48 | mp-1357359 | Move atoms at indices [12, 27, 3, 2, 19, 15, 26, 17, 16, 20, 21, 10, 31, 22, 7, 5, 29, 14, 13, 9, 11, 6, 25, 0, 8, 28] by [ 0.63 -0.854 4.396] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4Sb4As4O20
_chemical_formula_sum "Mg4 Sb4 As4 O20"
_cell_length_a 7.267013
_cell_length_b 7.291066
_cell_length_c 8.831991
_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 Mg4Sb4As4O20
_chemical_formula_sum "Mg4 Sb4 As4 O20"
_cell_length_a 7.267013
_cell_length_b 7.291066
_cell_length_c 8.831991
_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 | 3de867e6-6b82-403f-b55a-08c0b36e6196 | mp-1218770 | Move atoms at indices [7, 4, 18, 0, 12, 17, 5, 8, 6, 2, 9, 16, 1, 10, 19, 11, 13, 15, 3] by [ 0.194 -4.804 1.82 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2NdSmMn4O12
_chemical_formula_sum "Sr2 Nd1 Sm1 Mn4 O12"
_cell_length_a 5.51174067
_cell_length_b 5.511740669999999
_cell_length_c 7.7975271500000005
_cell_angle_alpha 89.5560347
_cell_angle_beta 89.5560347
_cell_angle_gamma 89.502... | data_image0
_chemical_formula_structural Sr2NdSmMn4O12
_chemical_formula_sum "Sr2 Nd1 Sm1 Mn4 O12"
_cell_length_a 5.51174067
_cell_length_b 5.511740669999999
_cell_length_c 7.7975271500000005
_cell_angle_alpha 89.5560347
_cell_angle_beta 89.5560347
_cell_angle_gamma 89.502... |
MoveSelectedAtomsAction | 400e5236-0c19-43e4-9ce8-c2a8bf60d241 | mp-2219204 | Move atoms at indices [4, 2, 11, 6, 0, 10, 3, 7, 5, 1] by [ 1.296 -5.295 0.432] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb2MgV2O8
_chemical_formula_sum "Tb2 Mg1 V2 O8"
_cell_length_a 6.1041527
_cell_length_b 6.1041533900000005
_cell_length_c 6.24702455
_cell_angle_alpha 105.99154206
_cell_angle_beta 105.9915478
_cell_angle_gamma 115.70602638
_space_... | data_image0
_chemical_formula_structural Tb2MgV2O8
_chemical_formula_sum "Tb2 Mg1 V2 O8"
_cell_length_a 6.1041527
_cell_length_b 6.1041533900000005
_cell_length_c 6.24702455
_cell_angle_alpha 105.99154206
_cell_angle_beta 105.9915478
_cell_angle_gamma 115.70602638
_space_... |
MoveSelectedAtomsAction | f31519cc-5c30-47ba-a8e2-096908121ed5 | mp-1201827 | Move atoms at indices [9, 27, 30, 13, 29, 1, 15, 11, 17, 5, 0, 28, 24, 14, 18, 3, 26, 23, 22, 8, 7] by [-1.501 -1.727 2.981] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs13Nb2In6As10
_chemical_formula_sum "Cs13 Nb2 In6 As10"
_cell_length_a 9.922238
_cell_length_b 9.97488215
_cell_length_c 14.2638583
_cell_angle_alpha 83.22926099
_cell_angle_beta 80.51304732
_cell_angle_gamma 64.6167565
_space_gro... | data_image0
_chemical_formula_structural Cs13Nb2In6As10
_chemical_formula_sum "Cs13 Nb2 In6 As10"
_cell_length_a 9.922238
_cell_length_b 9.97488215
_cell_length_c 14.2638583
_cell_angle_alpha 83.22926099
_cell_angle_beta 80.51304732
_cell_angle_gamma 64.6167565
_space_gro... |
MoveSelectedAtomsAction | d0a4969f-85d1-4ccf-9d69-d63c4209a682 | mp-1200944 | Move atoms at indices [21, 48, 17, 7, 42, 12, 33, 55, 53, 4, 16, 3, 61, 58, 64, 13, 11, 6, 18, 46, 29, 8, 15, 45, 35, 28, 31, 66, 26, 67, 63, 23, 62, 0, 20, 40, 19, 36, 50, 60, 44, 9, 59, 32, 37, 22, 47, 1, 34, 5, 52, 38, 14, 51, 24] by [3.807 0.755 0.829] angstrom in the cif file. | data_image0
_chemical_formula_structural Pr20Si12N36
_chemical_formula_sum "Pr20 Si12 N36"
_cell_length_a 7.78838711
_cell_length_b 7.78838711
_cell_length_c 16.011699
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 93.78336765
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Pr20Si12N36
_chemical_formula_sum "Pr20 Si12 N36"
_cell_length_a 7.78838711
_cell_length_b 7.78838711
_cell_length_c 16.011699
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 93.78336765
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | dbc4e2e6-6808-4c87-bbc3-95e122fa1deb | mp-754454 | Move atoms at indices [11, 13, 8, 6, 9, 1, 5, 2] by [ 0.166 -1.717 0.387] angstrom in the cif file. | data_image0
_chemical_formula_structural Cd2Ag4O8
_chemical_formula_sum "Cd2 Ag4 O8"
_cell_length_a 7.26728171
_cell_length_b 7.26728171
_cell_length_c 7.26728171
_cell_angle_alpha 131.12632012
_cell_angle_beta 131.12632012
_cell_angle_gamma 71.61245961
_space_group_name_... | data_image0
_chemical_formula_structural Cd2Ag4O8
_chemical_formula_sum "Cd2 Ag4 O8"
_cell_length_a 7.26728171
_cell_length_b 7.26728171
_cell_length_c 7.26728171
_cell_angle_alpha 131.12632012
_cell_angle_beta 131.12632012
_cell_angle_gamma 71.61245961
_space_group_name_... |
MoveSelectedAtomsAction | 4b5e82ec-478a-414e-b3ac-68fbfb9fab82 | mp-1205853 | Move atoms at indices [9, 6, 5] by [ 0.713 -2.349 0.179] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd4In2Au4
_chemical_formula_sum "Nd4 In2 Au4"
_cell_length_a 8.04285031
_cell_length_b 8.04285031
_cell_length_c 3.92047908
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Nd4In2Au4
_chemical_formula_sum "Nd4 In2 Au4"
_cell_length_a 8.04285031
_cell_length_b 8.04285031
_cell_length_c 3.92047908
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveSelectedAtomsAction | e5cdbac1-6a60-4afd-af61-5e71da6b8822 | mp-1197620 | Move atoms at indices [22, 2] by [-2.585 0.49 -2.086] angstrom in the cif file. | data_image0
_chemical_formula_structural K12As4P12Se36
_chemical_formula_sum "K12 As4 P12 Se36"
_cell_length_a 23.45433502
_cell_length_b 8.22297513
_cell_length_c 12.33400796
_cell_angle_alpha 55.90592922999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural K12As4P12Se36
_chemical_formula_sum "K12 As4 P12 Se36"
_cell_length_a 23.45433502
_cell_length_b 8.22297513
_cell_length_c 12.33400796
_cell_angle_alpha 55.90592922999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
MoveSelectedAtomsAction | 84b09d44-db16-451e-82fd-ec005ec67091 | mp-862605 | Move atoms at indices [26, 22, 25, 10] by [ 1.114 -5.727 -1.727] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb4Zr6CCl18
_chemical_formula_sum "Rb4 Zr6 C1 Cl18"
_cell_length_a 10.33285124
_cell_length_b 10.33285124
_cell_length_c 10.01703386
_cell_angle_alpha 77.27577493
_cell_angle_beta 77.27577493
_cell_angle_gamma 117.51322988
_space_g... | data_image0
_chemical_formula_structural Rb4Zr6CCl18
_chemical_formula_sum "Rb4 Zr6 C1 Cl18"
_cell_length_a 10.33285124
_cell_length_b 10.33285124
_cell_length_c 10.01703386
_cell_angle_alpha 77.27577493
_cell_angle_beta 77.27577493
_cell_angle_gamma 117.51322988
_space_g... |
MoveSelectedAtomsAction | d9ad7f1a-95f3-4a5a-963b-7ccb00a7dfda | mp-1376805 | Move atoms at indices [14, 12, 19, 10, 7, 2, 8, 15, 4, 5, 17, 18] by [-0.62 -0.091 -0.82 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li3Fe5OF11
_chemical_formula_sum "Li3 Fe5 O1 F11"
_cell_length_a 5.256081
_cell_length_b 5.68770732
_cell_length_c 9.29113358
_cell_angle_alpha 107.28857676
_cell_angle_beta 89.09800657
_cell_angle_gamma 116.84259537
_space_group_n... | data_image0
_chemical_formula_structural Li3Fe5OF11
_chemical_formula_sum "Li3 Fe5 O1 F11"
_cell_length_a 5.256081
_cell_length_b 5.68770732
_cell_length_c 9.29113358
_cell_angle_alpha 107.28857676
_cell_angle_beta 89.09800657
_cell_angle_gamma 116.84259537
_space_group_n... |
MoveSelectedAtomsAction | 55d5f9fe-55d5-4e25-b69f-d136dd905c6d | mp-600520 | Move atoms at indices [8, 22, 13, 16, 27, 10, 9, 19, 4, 18, 5, 30, 0, 33, 20, 6, 11, 26, 25, 32, 7, 21, 31, 15, 3, 23] by [-1.19 -1.398 1.656] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2Cu2H8C8O16
_chemical_formula_sum "Sr2 Cu2 H8 C8 O16"
_cell_length_a 8.964034
_cell_length_b 7.32883
_cell_length_c 7.40385088
_cell_angle_alpha 87.33660625
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sr2Cu2H8C8O16
_chemical_formula_sum "Sr2 Cu2 H8 C8 O16"
_cell_length_a 8.964034
_cell_length_b 7.32883
_cell_length_c 7.40385088
_cell_angle_alpha 87.33660625
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | b794495e-d22d-4863-94de-17a089ec7243 | mp-1079383 | Move atoms at indices [6, 3, 4, 5, 2, 1, 8] by [-0.482 1.962 0.505] angstrom in the cif file. | data_image0
_chemical_formula_structural Ce4In2Cu4
_chemical_formula_sum "Ce4 In2 Cu4"
_cell_length_a 8.380093
_cell_length_b 8.380093
_cell_length_c 3.154539
_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 Ce4In2Cu4
_chemical_formula_sum "Ce4 In2 Cu4"
_cell_length_a 8.380093
_cell_length_b 8.380093
_cell_length_c 3.154539
_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 | efd63748-18d4-4cd4-ba73-b3527e6b4590 | mp-1245832 | Move atoms at indices [0] by [ 0.311 0.955 -0.867] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Cu4N4
_chemical_formula_sum "Ca4 Cu4 N4"
_cell_length_a 8.91002794
_cell_length_b 3.83720965
_cell_length_c 6.75468884
_cell_angle_alpha 89.99999708
_cell_angle_beta 110.05152432999999
_cell_angle_gamma 77.56504692
_space_group_... | data_image0
_chemical_formula_structural Ca4Cu4N4
_chemical_formula_sum "Ca4 Cu4 N4"
_cell_length_a 8.91002794
_cell_length_b 3.83720965
_cell_length_c 6.75468884
_cell_angle_alpha 89.99999708
_cell_angle_beta 110.05152432999999
_cell_angle_gamma 77.56504692
_space_group_... |
MoveSelectedAtomsAction | 8555e8ed-36f6-4207-85e5-038789080e45 | mp-1210244 | Move atoms at indices [30, 18, 0, 47, 8, 5, 67, 24, 16, 42, 23, 29, 9, 45, 37, 26, 32, 40, 56, 51, 66, 49, 19, 62, 52, 17, 15, 41, 20, 55, 11, 39, 63, 27, 57, 58, 21, 36, 14] by [-0.029 -1.282 -2.277] angstrom in the cif file. | data_image0
_chemical_formula_structural Pr46Mg8Pt14
_chemical_formula_sum "Pr46 Mg8 Pt14"
_cell_length_a 10.22769297
_cell_length_b 10.227692969999998
_cell_length_c 23.10771016
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000229
_space_group_name... | data_image0
_chemical_formula_structural Pr46Mg8Pt14
_chemical_formula_sum "Pr46 Mg8 Pt14"
_cell_length_a 10.22769297
_cell_length_b 10.227692969999998
_cell_length_c 23.10771016
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000229
_space_group_name... |
MoveSelectedAtomsAction | 63666d7a-197b-44f7-b129-29df7eca5838 | mp-1215754 | Move atoms at indices [12, 1, 6] by [ 0.008 -2.66 1.052] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr4Ti6Si6
_chemical_formula_sum "Zr4 Ti6 Si6"
_cell_length_a 5.466895
_cell_length_b 7.71310896
_cell_length_c 7.715738230000001
_cell_angle_alpha 119.98872028999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Zr4Ti6Si6
_chemical_formula_sum "Zr4 Ti6 Si6"
_cell_length_a 5.466895
_cell_length_b 7.71310896
_cell_length_c 7.715738230000001
_cell_angle_alpha 119.98872028999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
MoveSelectedAtomsAction | 1d1daf1c-b3d4-406c-bc97-c77ab96dd637 | mp-1195048 | Move atoms at indices [3, 36, 49, 4, 14, 8, 28, 27, 5, 17, 41, 51, 40, 31, 34, 45, 50, 43, 47, 46, 37, 33, 0, 21, 26, 44, 48, 35, 20, 25, 10, 30, 42, 11, 22, 23, 18, 29, 24, 1, 19, 9, 13, 6, 16, 2, 32, 39, 38, 15] by [-0.178 -1.587 -0.151] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2Ca2Mn6Si10H2O30
_chemical_formula_sum "Na2 Ca2 Mn6 Si10 H2 O30"
_cell_length_a 6.88200997
_cell_length_b 7.80432588
_cell_length_c 12.1280066
_cell_angle_alpha 110.93483247
_cell_angle_beta 84.50278834
_cell_angle_gamma 94.318122... | data_image0
_chemical_formula_structural Na2Ca2Mn6Si10H2O30
_chemical_formula_sum "Na2 Ca2 Mn6 Si10 H2 O30"
_cell_length_a 6.88200997
_cell_length_b 7.80432588
_cell_length_c 12.1280066
_cell_angle_alpha 110.93483247
_cell_angle_beta 84.50278834
_cell_angle_gamma 94.318122... |
MoveSelectedAtomsAction | cf02528b-79b4-4c4a-9755-1cab8c966322 | mp-2224471 | Move atoms at indices [16, 23, 14, 48, 34, 10, 41, 27, 30, 2, 13] by [ 3.468 -2.494 -1.579] angstrom in the cif file. | data_image0
_chemical_formula_structural MgFe4P12O36
_chemical_formula_sum "Mg1 Fe4 P12 O36"
_cell_length_a 8.59775702
_cell_length_b 8.67828602
_cell_length_c 8.84301149
_cell_angle_alpha 89.70753084
_cell_angle_beta 90.84395481
_cell_angle_gamma 90.52704608
_space_group... | data_image0
_chemical_formula_structural MgFe4P12O36
_chemical_formula_sum "Mg1 Fe4 P12 O36"
_cell_length_a 8.59775702
_cell_length_b 8.67828602
_cell_length_c 8.84301149
_cell_angle_alpha 89.70753084
_cell_angle_beta 90.84395481
_cell_angle_gamma 90.52704608
_space_group... |
MoveSelectedAtomsAction | fa0ec6f4-c3cd-4776-8440-bb8d347b8197 | mp-1226598 | Move atoms at indices [10, 1, 4, 5, 9] by [-2.281 3.058 2.676] angstrom in the cif file. | data_image0
_chemical_formula_structural CeTh3O8
_chemical_formula_sum "Ce1 Th3 O8"
_cell_length_a 13.02289748
_cell_length_b 13.02289748
_cell_length_c 13.02289643
_cell_angle_alpha 17.38526101000004
_cell_angle_beta 17.38526101
_cell_angle_gamma 17.385260550000027
_spac... | data_image0
_chemical_formula_structural CeTh3O8
_chemical_formula_sum "Ce1 Th3 O8"
_cell_length_a 13.02289748
_cell_length_b 13.02289748
_cell_length_c 13.02289643
_cell_angle_alpha 17.38526101000004
_cell_angle_beta 17.38526101
_cell_angle_gamma 17.385260550000027
_spac... |
MoveSelectedAtomsAction | 44ae33ae-86fa-4ebc-9c59-9c12dc060d8e | mp-1180291 | Move atoms at indices [4, 2, 17, 19, 1, 5, 22, 14] by [-2.367 -0.252 -2.404] angstrom in the cif file. | data_image0
_chemical_formula_structural MnFe2P2O18
_chemical_formula_sum "Mn1 Fe2 P2 O18"
_cell_length_a 5.325432
_cell_length_b 7.22015907
_cell_length_c 10.10152247
_cell_angle_alpha 96.54352773
_cell_angle_beta 99.75977914
_cell_angle_gamma 110.21982185
_space_group_n... | data_image0
_chemical_formula_structural MnFe2P2O18
_chemical_formula_sum "Mn1 Fe2 P2 O18"
_cell_length_a 5.325432
_cell_length_b 7.22015907
_cell_length_c 10.10152247
_cell_angle_alpha 96.54352773
_cell_angle_beta 99.75977914
_cell_angle_gamma 110.21982185
_space_group_n... |
MoveSelectedAtomsAction | 14bb8895-7158-4ae3-b207-ce710fe241fe | mp-1096906 | Move atoms at indices [18, 5, 43, 25, 2, 39, 26, 37, 3, 47, 10, 8, 44, 46, 9, 30, 29, 21, 32, 38, 11, 34, 4, 27, 7, 12] by [-0.91 1.252 -0.193] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr16N32
_chemical_formula_sum "Cr16 N32"
_cell_length_a 8.26778468
_cell_length_b 12.517896580000002
_cell_length_c 12.51789676
_cell_angle_alpha 72.56061355
_cell_angle_beta 80.63089274
_cell_angle_gamma 80.63089116
_space_group_n... | data_image0
_chemical_formula_structural Cr16N32
_chemical_formula_sum "Cr16 N32"
_cell_length_a 8.26778468
_cell_length_b 12.517896580000002
_cell_length_c 12.51789676
_cell_angle_alpha 72.56061355
_cell_angle_beta 80.63089274
_cell_angle_gamma 80.63089116
_space_group_n... |
MoveSelectedAtomsAction | 50c33f13-0505-493c-9616-3ce8d3878df0 | mp-754319 | Move atoms at indices [12, 14, 6, 1, 7, 2, 0, 9, 8, 5] by [-1.597 -3.145 0.341] angstrom in the cif file. | data_image0
_chemical_formula_structural Li3NbNi4O8
_chemical_formula_sum "Li3 Nb1 Ni4 O8"
_cell_length_a 5.968496
_cell_length_b 5.967901590000001
_cell_length_c 5.975774150000001
_cell_angle_alpha 88.89278859
_cell_angle_beta 119.40810863
_cell_angle_gamma 60.71838540000... | data_image0
_chemical_formula_structural Li3NbNi4O8
_chemical_formula_sum "Li3 Nb1 Ni4 O8"
_cell_length_a 5.968496
_cell_length_b 5.967901590000001
_cell_length_c 5.975774150000001
_cell_angle_alpha 88.89278859
_cell_angle_beta 119.40810863
_cell_angle_gamma 60.71838540000... |
MoveSelectedAtomsAction | 286cf6a1-2471-45f9-b742-68cc8417b3cb | mp-1195192 | Move atoms at indices [10, 42, 19, 36, 18, 30, 21, 22] by [1.161 2.798 0.275] angstrom in the cif file. | data_image0
_chemical_formula_structural Na3Tb3H6S6O27
_chemical_formula_sum "Na3 Tb3 H6 S6 O27"
_cell_length_a 6.980523
_cell_length_b 6.98052253
_cell_length_c 12.797699
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999747000001
_space_group_name_... | data_image0
_chemical_formula_structural Na3Tb3H6S6O27
_chemical_formula_sum "Na3 Tb3 H6 S6 O27"
_cell_length_a 6.980523
_cell_length_b 6.98052253
_cell_length_c 12.797699
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999747000001
_space_group_name_... |
MoveSelectedAtomsAction | ed8d5bd4-4e3b-4d26-92f9-26cc454a9a66 | mp-1247343 | Move atoms at indices [6, 5, 25, 21, 22, 11, 10, 7, 24, 18, 16, 1, 12, 23, 15, 8, 17, 9, 13] by [2.007 0.244 0.395] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca10Ti4N12
_chemical_formula_sum "Ca10 Ti4 N12"
_cell_length_a 6.10657579
_cell_length_b 6.55391325
_cell_length_c 12.8961882
_cell_angle_alpha 90.00000041000001
_cell_angle_beta 101.44650745
_cell_angle_gamma 122.45435244
_space_g... | data_image0
_chemical_formula_structural Ca10Ti4N12
_chemical_formula_sum "Ca10 Ti4 N12"
_cell_length_a 6.10657579
_cell_length_b 6.55391325
_cell_length_c 12.8961882
_cell_angle_alpha 90.00000041000001
_cell_angle_beta 101.44650745
_cell_angle_gamma 122.45435244
_space_g... |
MoveSelectedAtomsAction | 1d86f783-9178-4005-bd6f-bab0f77ba4de | mp-645158 | Move atoms at indices [9, 15, 1, 0, 17, 16, 13, 19, 2, 12, 5, 18, 10, 7, 11, 3] by [-0.785 1.012 0.231] angstrom in the cif file. | data_image0
_chemical_formula_structural La4Mn4O12
_chemical_formula_sum "La4 Mn4 O12"
_cell_length_a 10.297857
_cell_length_b 5.674393
_cell_length_c 6.043189749999999
_cell_angle_alpha 70.70900253
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La4Mn4O12
_chemical_formula_sum "La4 Mn4 O12"
_cell_length_a 10.297857
_cell_length_b 5.674393
_cell_length_c 6.043189749999999
_cell_angle_alpha 70.70900253
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | df491894-d903-4ade-b37e-8d407ef0879a | mp-1226695 | Move atoms at indices [29, 44, 34, 28, 5, 2, 13, 43, 21, 41, 48, 26, 50, 20, 18, 25, 14, 51, 38, 30, 19, 47, 31, 42, 10, 4, 32, 35, 3, 9, 45, 27, 40, 24, 33, 39, 36, 22, 7, 46, 23, 0, 17, 49, 12, 1] by [ 3.351 0.891 -0.723] angstrom in the cif file. | data_image0
_chemical_formula_structural Co2H30Br4N12O4
_chemical_formula_sum "Co2 H30 Br4 N12 O4"
_cell_length_a 6.9257375
_cell_length_b 6.84391893
_cell_length_c 11.04345546
_cell_angle_alpha 86.0682391
_cell_angle_beta 85.75641914
_cell_angle_gamma 80.75787772
_space_... | data_image0
_chemical_formula_structural Co2H30Br4N12O4
_chemical_formula_sum "Co2 H30 Br4 N12 O4"
_cell_length_a 6.9257375
_cell_length_b 6.84391893
_cell_length_c 11.04345546
_cell_angle_alpha 86.0682391
_cell_angle_beta 85.75641914
_cell_angle_gamma 80.75787772
_space_... |
MoveSelectedAtomsAction | 4ceae3df-d3a7-47d4-9e5c-53fee670442f | mp-1028731 | Move atoms at indices [8, 7, 10, 2, 11, 6, 5, 3, 9, 1, 0, 4] by [-2.211 -0.713 -1.078] angstrom in the cif file. | data_image0
_chemical_formula_structural Te2W4Se6
_chemical_formula_sum "Te2 W4 Se6"
_cell_length_a 3.38041365
_cell_length_b 3.3804136500000004
_cell_length_c 38.560445
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999322999999
_space_group_name_H-... | data_image0
_chemical_formula_structural Te2W4Se6
_chemical_formula_sum "Te2 W4 Se6"
_cell_length_a 3.38041365
_cell_length_b 3.3804136500000004
_cell_length_c 38.560445
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999322999999
_space_group_name_H-... |
MoveSelectedAtomsAction | 3350dcec-ccb9-4f7f-a827-b710af27f5d0 | mp-1239127 | Move atoms at indices [1, 16] by [ 0.704 0.187 -1.618] angstrom in the cif file. | data_image0
_chemical_formula_structural Hf4Cr4Cu4S16
_chemical_formula_sum "Hf4 Cr4 Cu4 S16"
_cell_length_a 6.993105
_cell_length_b 7.607061
_cell_length_c 10.262212
_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 Hf4Cr4Cu4S16
_chemical_formula_sum "Hf4 Cr4 Cu4 S16"
_cell_length_a 6.993105
_cell_length_b 7.607061
_cell_length_c 10.262212
_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 | 245f5182-d230-484e-adb5-6264ad312653 | mp-997587 | Move atoms at indices [27, 31, 29, 6, 14, 10, 5, 15, 21, 22, 39, 19, 13, 9, 25, 11, 20, 4, 8] by [0.972 0.366 0.217] angstrom in the cif file. | data_image0
_chemical_formula_structural La7ScAl8O24
_chemical_formula_sum "La7 Sc1 Al8 O24"
_cell_length_a 7.570756
_cell_length_b 7.570756
_cell_length_c 7.570756
_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 La7ScAl8O24
_chemical_formula_sum "La7 Sc1 Al8 O24"
_cell_length_a 7.570756
_cell_length_b 7.570756
_cell_length_c 7.570756
_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 | fa7ee637-0896-4f6c-b02c-dd963fbe386a | mp-23013 | Move atoms at indices [3, 14, 19, 15] by [-1.794 2.7 -2.396] angstrom in the cif file. | data_image0
_chemical_formula_structural U4Cl8O8
_chemical_formula_sum "U4 Cl8 O8"
_cell_length_a 5.76341914
_cell_length_b 8.44405204
_cell_length_c 8.73800116
_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 U4Cl8O8
_chemical_formula_sum "U4 Cl8 O8"
_cell_length_a 5.76341914
_cell_length_b 8.44405204
_cell_length_c 8.73800116
_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 | e6d91934-069c-4166-86be-58acfe393976 | mp-1103810 | Move atoms at indices [2, 7, 4, 3, 11, 12, 0, 5, 6, 13] by [ 0.34 -5.182 0.903] angstrom in the cif file. | data_image0
_chemical_formula_structural Y6Al2C6
_chemical_formula_sum "Y6 Al2 C6"
_cell_length_a 3.57785812
_cell_length_b 7.05402041
_cell_length_c 9.96492032
_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 Y6Al2C6
_chemical_formula_sum "Y6 Al2 C6"
_cell_length_a 3.57785812
_cell_length_b 7.05402041
_cell_length_c 9.96492032
_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 | ed4f6a16-24f5-4aa5-be1a-2ed77202a742 | mp-1210328 | Move atoms at indices [24, 6, 15, 0, 11, 21, 20, 22, 17, 18, 4, 14, 8, 3, 19, 9, 13, 23, 2, 10, 12] by [ 0.707 -0.306 0.577] angstrom in the cif file. | data_image0
_chemical_formula_structural Ni2P4O20
_chemical_formula_sum "Ni2 P4 O20"
_cell_length_a 9.553455
_cell_length_b 5.181696
_cell_length_c 8.57377695
_cell_angle_alpha 56.20746677999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ni2P4O20
_chemical_formula_sum "Ni2 P4 O20"
_cell_length_a 9.553455
_cell_length_b 5.181696
_cell_length_c 8.57377695
_cell_angle_alpha 56.20746677999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveSelectedAtomsAction | 47a3d6d5-3e22-4df5-9f61-a42b186455a6 | mp-759150 | Move atoms at indices [16, 1, 18, 2, 15, 13, 6, 8] by [ 1.919 4.73 -0.233] 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 | 7fb411af-621c-4768-9482-b3f0faa90390 | mp-1017159 | Move atoms at indices [11] by [ 1.209 2.183 -1.319] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2Mg12C2
_chemical_formula_sum "Rb2 Mg12 C2"
_cell_length_a 3.283259
_cell_length_b 8.311256
_cell_length_c 14.580709
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural Rb2Mg12C2
_chemical_formula_sum "Rb2 Mg12 C2"
_cell_length_a 3.283259
_cell_length_b 8.311256
_cell_length_c 14.580709
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... |
MoveSelectedAtomsAction | aef82634-0b72-4b98-a323-0b0c14b696d2 | mp-2240405 | Move atoms at indices [1, 8, 3, 0, 5, 9, 2, 10, 4, 6, 7] by [ 0.787 -2.184 0.225] angstrom in the cif file. | data_image0
_chemical_formula_structural MgMn2Ag2O6
_chemical_formula_sum "Mg1 Mn2 Ag2 O6"
_cell_length_a 5.30224908
_cell_length_b 6.05280598
_cell_length_c 5.30275531
_cell_angle_alpha 115.98650708
_cell_angle_beta 59.99373689000001
_cell_angle_gamma 115.99553636
_space... | data_image0
_chemical_formula_structural MgMn2Ag2O6
_chemical_formula_sum "Mg1 Mn2 Ag2 O6"
_cell_length_a 5.30224908
_cell_length_b 6.05280598
_cell_length_c 5.30275531
_cell_angle_alpha 115.98650708
_cell_angle_beta 59.99373689000001
_cell_angle_gamma 115.99553636
_space... |
MoveSelectedAtomsAction | 7787b3d0-9594-4949-8089-b895618dbc88 | mp-1289597 | Move atoms at indices [9, 19, 13, 10, 6, 3, 1, 7, 15, 17] by [-0.403 1.907 1.085] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn4B4O12
_chemical_formula_sum "Mn4 B4 O12"
_cell_length_a 4.68409486
_cell_length_b 5.45749631
_cell_length_c 7.34317133
_cell_angle_alpha 75.2461238
_cell_angle_beta 86.0185133
_cell_angle_gamma 87.58288049
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Mn4B4O12
_chemical_formula_sum "Mn4 B4 O12"
_cell_length_a 4.68409486
_cell_length_b 5.45749631
_cell_length_c 7.34317133
_cell_angle_alpha 75.2461238
_cell_angle_beta 86.0185133
_cell_angle_gamma 87.58288049
_space_group_name_H-M_... |
MoveSelectedAtomsAction | fc62ae85-4472-41cc-b4b6-aa5496da64e9 | mp-1208931 | Move atoms at indices [14, 6, 13, 12, 2, 4] by [-1.577 1.364 -0.602] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2ErCu2Bi2O8
_chemical_formula_sum "Sr2 Er1 Cu2 Bi2 O8"
_cell_length_a 15.46020447
_cell_length_b 15.460204469999999
_cell_length_c 15.46020447
_cell_angle_alpha 165.95452037
_cell_angle_beta 165.95452037
_cell_angle_gamma 19.91368... | data_image0
_chemical_formula_structural Sr2ErCu2Bi2O8
_chemical_formula_sum "Sr2 Er1 Cu2 Bi2 O8"
_cell_length_a 15.46020447
_cell_length_b 15.460204469999999
_cell_length_c 15.46020447
_cell_angle_alpha 165.95452037
_cell_angle_beta 165.95452037
_cell_angle_gamma 19.91368... |
MoveSelectedAtomsAction | 92ac7334-f077-46f8-8b18-f41462bd6063 | mp-1520897 | Move atoms at indices [8] by [0.522 2.609 2.452] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2CrBiO6
_chemical_formula_sum "Sr2 Cr1 Bi1 O6"
_cell_length_a 5.78690587
_cell_length_b 5.78690587
_cell_length_c 5.78690587
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Sr2CrBiO6
_chemical_formula_sum "Sr2 Cr1 Bi1 O6"
_cell_length_a 5.78690587
_cell_length_b 5.78690587
_cell_length_c 5.78690587
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... |
MoveSelectedAtomsAction | 325be2e8-bae6-4ef4-bf58-8ccc2202e99c | mp-1106214 | Move atoms at indices [2, 13, 8, 14] by [ 3.019 -1.706 -3.777] angstrom in the cif file. | data_image0
_chemical_formula_structural Lu6Ge6Pd6
_chemical_formula_sum "Lu6 Ge6 Pd6"
_cell_length_a 11.2242062
_cell_length_b 11.2242062
_cell_length_c 11.2242062
_cell_angle_alpha 157.54988981
_cell_angle_beta 140.37210418999996
_cell_angle_gamma 46.01936493
_space_gro... | data_image0
_chemical_formula_structural Lu6Ge6Pd6
_chemical_formula_sum "Lu6 Ge6 Pd6"
_cell_length_a 11.2242062
_cell_length_b 11.2242062
_cell_length_c 11.2242062
_cell_angle_alpha 157.54988981
_cell_angle_beta 140.37210418999996
_cell_angle_gamma 46.01936493
_space_gro... |
MoveSelectedAtomsAction | c849c7d3-f3fe-429d-a635-9dd481603db2 | mp-1076627 | Move atoms at indices [32, 4, 20, 26, 35, 28, 24, 11, 13] by [ 1.888 -1.428 -1.082] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr8Ti4Mn4O20
_chemical_formula_sum "Sr8 Ti4 Mn4 O20"
_cell_length_a 5.62529
_cell_length_b 8.92492134
_cell_length_c 11.403602
_cell_angle_alpha 108.62765674999999
_cell_angle_beta 90.00036421
_cell_angle_gamma 108.36900562
_space_... | data_image0
_chemical_formula_structural Sr8Ti4Mn4O20
_chemical_formula_sum "Sr8 Ti4 Mn4 O20"
_cell_length_a 5.62529
_cell_length_b 8.92492134
_cell_length_c 11.403602
_cell_angle_alpha 108.62765674999999
_cell_angle_beta 90.00036421
_cell_angle_gamma 108.36900562
_space_... |
MoveSelectedAtomsAction | db618004-87f6-49d5-9029-de1c3a0dd74e | mp-1027627 | Move atoms at indices [5, 11, 8, 2, 4] by [ 0.725 1.842 -0.276] angstrom in the cif file. | data_image0
_chemical_formula_structural Te2Mo4Se2S4
_chemical_formula_sum "Te2 Mo4 Se2 S4"
_cell_length_a 3.30911865
_cell_length_b 3.30911865
_cell_length_c 37.58381
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001295
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Te2Mo4Se2S4
_chemical_formula_sum "Te2 Mo4 Se2 S4"
_cell_length_a 3.30911865
_cell_length_b 3.30911865
_cell_length_c 37.58381
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001295
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | fa1caab6-7561-46e1-bb17-356dc54dc853 | mp-1236250 | Move atoms at indices [1, 6, 5, 11, 13] by [ 1.092 -1.321 1.71 ] angstrom in the cif file. | data_image0
_chemical_formula_structural LiCo5SbO8
_chemical_formula_sum "Li1 Co5 Sb1 O8"
_cell_length_a 6.32081318
_cell_length_b 5.95944951
_cell_length_c 5.958533000000001
_cell_angle_alpha 60.00407588000001
_cell_angle_beta 61.87965133
_cell_angle_gamma 61.95931534
_s... | data_image0
_chemical_formula_structural LiCo5SbO8
_chemical_formula_sum "Li1 Co5 Sb1 O8"
_cell_length_a 6.32081318
_cell_length_b 5.95944951
_cell_length_c 5.958533000000001
_cell_angle_alpha 60.00407588000001
_cell_angle_beta 61.87965133
_cell_angle_gamma 61.95931534
_s... |
MoveSelectedAtomsAction | d9476275-cf44-4bc6-b54a-255abd8d0452 | mp-734319 | Move atoms at indices [2, 1, 5, 9, 21, 15, 43, 26, 40, 19, 28, 20, 31, 8, 13, 39, 6, 17, 18, 35, 38, 0, 24, 37, 34, 14, 22, 11, 36, 10, 25, 32, 33, 29] by [2.944 0.947 2.103] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb4Fe4H16Cl12O8
_chemical_formula_sum "Rb4 Fe4 H16 Cl12 O8"
_cell_length_a 7.040363
_cell_length_b 8.988614
_cell_length_c 11.436915
_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 Rb4Fe4H16Cl12O8
_chemical_formula_sum "Rb4 Fe4 H16 Cl12 O8"
_cell_length_a 7.040363
_cell_length_b 8.988614
_cell_length_c 11.436915
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | a7c4480c-ef1f-4a33-8de4-2511fb51376e | mp-780891 | Move atoms at indices [18] by [ 1.435 0.426 -1.614] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe8O14F2
_chemical_formula_sum "Fe8 O14 F2"
_cell_length_a 7.19630577
_cell_length_b 7.19630577
_cell_length_c 5.519081169999999
_cell_angle_alpha 71.83725514
_cell_angle_beta 71.83725514
_cell_angle_gamma 80.10399085
_space_group_... | data_image0
_chemical_formula_structural Fe8O14F2
_chemical_formula_sum "Fe8 O14 F2"
_cell_length_a 7.19630577
_cell_length_b 7.19630577
_cell_length_c 5.519081169999999
_cell_angle_alpha 71.83725514
_cell_angle_beta 71.83725514
_cell_angle_gamma 80.10399085
_space_group_... |
MoveSelectedAtomsAction | e969ab7b-9971-4c59-aa9f-3903a4c8a55e | mp-1201935 | Move atoms at indices [16, 47, 36, 41, 48, 58, 35, 32, 38, 46, 33, 50, 34, 23, 25, 6, 22, 20, 7, 15, 54, 12, 51, 2, 44] by [ 1.988 1.014 -3.212] angstrom in the cif file. | data_image0
_chemical_formula_structural K8P8H16O28
_chemical_formula_sum "K8 P8 H16 O28"
_cell_length_a 7.836889
_cell_length_b 10.18344283
_cell_length_c 10.37658468
_cell_angle_alpha 93.40981959000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural K8P8H16O28
_chemical_formula_sum "K8 P8 H16 O28"
_cell_length_a 7.836889
_cell_length_b 10.18344283
_cell_length_c 10.37658468
_cell_angle_alpha 93.40981959000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
MoveSelectedAtomsAction | 6df26b1e-8860-41ac-b055-e38053ac3bb1 | mp-1246907 | Move atoms at indices [14, 6, 5, 2, 7, 12, 4, 11, 9, 8] by [ 4.442 3.959 -0.338] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr6Co4N8
_chemical_formula_sum "Sr6 Co4 N8"
_cell_length_a 7.06809409
_cell_length_b 8.63697807
_cell_length_c 5.5587382
_cell_angle_alpha 89.99999805
_cell_angle_beta 93.41871608999999
_cell_angle_gamma 127.66064499000001
_space_g... | data_image0
_chemical_formula_structural Sr6Co4N8
_chemical_formula_sum "Sr6 Co4 N8"
_cell_length_a 7.06809409
_cell_length_b 8.63697807
_cell_length_c 5.5587382
_cell_angle_alpha 89.99999805
_cell_angle_beta 93.41871608999999
_cell_angle_gamma 127.66064499000001
_space_g... |
MoveSelectedAtomsAction | ac9b9026-89bd-44b0-8bd4-6d230876d4b5 | mp-1180875 | Move atoms at indices [29, 6] by [-2.94 -2.597 -2.65 ] 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 | dcca74ae-d34c-4ffb-9b4e-a07427a19c1a | mp-1247342 | Move atoms at indices [15] by [ 0.364 0.765 -2.845] angstrom in the cif file. | data_image0
_chemical_formula_structural Li24V8N16
_chemical_formula_sum "Li24 V8 N16"
_cell_length_a 8.34245324
_cell_length_b 9.63303509
_cell_length_c 9.63303547
_cell_angle_alpha 90.00000096
_cell_angle_beta 125.26438879
_cell_angle_gamma 54.73560962
_space_group_name... | data_image0
_chemical_formula_structural Li24V8N16
_chemical_formula_sum "Li24 V8 N16"
_cell_length_a 8.34245324
_cell_length_b 9.63303509
_cell_length_c 9.63303547
_cell_angle_alpha 90.00000096
_cell_angle_beta 125.26438879
_cell_angle_gamma 54.73560962
_space_group_name... |
MoveSelectedAtomsAction | 28f8af59-8ab6-4931-8b41-de17a819a1cb | mp-705551 | Move atoms at indices [5, 18, 1, 30, 7, 12] by [ 1.197 1.391 -0.337] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe15O16
_chemical_formula_sum "Fe15 O16"
_cell_length_a 6.247103
_cell_length_b 6.26532232
_cell_length_c 8.76823809
_cell_angle_alpha 90.37687825000002
_cell_angle_beta 90.44855667
_cell_angle_gamma 90.08758079
_space_group_name_H... | data_image0
_chemical_formula_structural Fe15O16
_chemical_formula_sum "Fe15 O16"
_cell_length_a 6.247103
_cell_length_b 6.26532232
_cell_length_c 8.76823809
_cell_angle_alpha 90.37687825000002
_cell_angle_beta 90.44855667
_cell_angle_gamma 90.08758079
_space_group_name_H... |
MoveSelectedAtomsAction | 1d0a4f28-c0d0-4050-88f6-de303af8f5eb | mp-580327 | Move atoms at indices [9, 19, 8, 11, 3, 21, 13, 6, 15, 10, 12, 1, 7, 4, 5] by [0.863 1.697 2.983] angstrom in the cif file. | data_image0
_chemical_formula_structural Gd6Al4Ni12
_chemical_formula_sum "Gd6 Al4 Ni12"
_cell_length_a 7.7155987
_cell_length_b 7.71560592
_cell_length_c 7.71561356
_cell_angle_alpha 109.44377817
_cell_angle_beta 109.4436389
_cell_angle_gamma 109.52528551000002
_space_gr... | data_image0
_chemical_formula_structural Gd6Al4Ni12
_chemical_formula_sum "Gd6 Al4 Ni12"
_cell_length_a 7.7155987
_cell_length_b 7.71560592
_cell_length_c 7.71561356
_cell_angle_alpha 109.44377817
_cell_angle_beta 109.4436389
_cell_angle_gamma 109.52528551000002
_space_gr... |
MoveSelectedAtomsAction | 3dc44d8e-e6ce-4d13-960e-0d4230e24150 | mp-570469 | Move atoms at indices [4, 10, 14, 6, 5, 12, 1, 8, 3, 13, 15] by [-2.298 0.64 -4.247] angstrom in the cif file. | data_image0
_chemical_formula_structural Pr10Tl6
_chemical_formula_sum "Pr10 Tl6"
_cell_length_a 6.36229245
_cell_length_b 9.514886500000001
_cell_length_c 9.51492551
_cell_angle_alpha 83.59895496
_cell_angle_beta 70.46806593
_cell_angle_gamma 70.46798067
_space_group_nam... | data_image0
_chemical_formula_structural Pr10Tl6
_chemical_formula_sum "Pr10 Tl6"
_cell_length_a 6.36229245
_cell_length_b 9.514886500000001
_cell_length_c 9.51492551
_cell_angle_alpha 83.59895496
_cell_angle_beta 70.46806593
_cell_angle_gamma 70.46798067
_space_group_nam... |
MoveSelectedAtomsAction | e80412e0-159d-4a85-8967-c8c649467399 | mp-755245 | Move atoms at indices [13, 0, 2, 6, 11, 1, 7, 8, 5, 10, 12, 3, 9] by [ 2.336 0.777 -0.089] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Cu2P2O8
_chemical_formula_sum "Li2 Cu2 P2 O8"
_cell_length_a 4.90395103
_cell_length_b 4.90395103
_cell_length_c 6.273712
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 110.44416986
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li2Cu2P2O8
_chemical_formula_sum "Li2 Cu2 P2 O8"
_cell_length_a 4.90395103
_cell_length_b 4.90395103
_cell_length_c 6.273712
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 110.44416986
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | 4587cdd8-5ccf-4c69-af20-0621f32450da | mp-1523147 | Move atoms at indices [6, 8, 2, 7] by [2.529 3.357 0.211] angstrom in the cif file. | data_image0
_chemical_formula_structural SrNdMgWO6
_chemical_formula_sum "Sr1 Nd1 Mg1 W1 O6"
_cell_length_a 5.64963695
_cell_length_b 5.64963695
_cell_length_c 5.64963695
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... | data_image0
_chemical_formula_structural SrNdMgWO6
_chemical_formula_sum "Sr1 Nd1 Mg1 W1 O6"
_cell_length_a 5.64963695
_cell_length_b 5.64963695
_cell_length_c 5.64963695
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... |
MoveSelectedAtomsAction | a33766aa-36b6-4ade-911e-c1bbc49d6ff8 | mp-1037735 | Move atoms at indices [43] by [ 0.646 -1.672 -1.268] angstrom in the cif file. | data_image0
_chemical_formula_structural YMg30VO32
_chemical_formula_sum "Y1 Mg30 V1 O32"
_cell_length_a 8.622251
_cell_length_b 8.622251
_cell_length_c 8.636474
_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 YMg30VO32
_chemical_formula_sum "Y1 Mg30 V1 O32"
_cell_length_a 8.622251
_cell_length_b 8.622251
_cell_length_c 8.636474
_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 | 2dd961d0-0e17-4adf-9789-1ec8aa88983d | mp-1217721 | Move atoms at indices [8, 11, 6, 5, 17, 16, 15, 12] by [2.528 2.069 1.386] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb6Al8Fe4
_chemical_formula_sum "Tb6 Al8 Fe4"
_cell_length_a 5.41548454
_cell_length_b 5.42113991
_cell_length_c 13.43452047
_cell_angle_alpha 90.33912397
_cell_angle_beta 89.20829155000001
_cell_angle_gamma 119.18295097
_space_gro... | data_image0
_chemical_formula_structural Tb6Al8Fe4
_chemical_formula_sum "Tb6 Al8 Fe4"
_cell_length_a 5.41548454
_cell_length_b 5.42113991
_cell_length_c 13.43452047
_cell_angle_alpha 90.33912397
_cell_angle_beta 89.20829155000001
_cell_angle_gamma 119.18295097
_space_gro... |
MoveSelectedAtomsAction | 8b86bad0-0bb7-4c42-ac11-d0ba397c3b8e | mp-1096957 | Move atoms at indices [33, 66, 10, 31, 49, 6, 4, 11, 67, 7, 25, 53, 54, 50, 58, 9, 38, 60, 28, 30, 69, 32, 45, 71, 41, 1, 52, 64, 3] by [-2.474 1.43 -0.408] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr24N48
_chemical_formula_sum "Cr24 N48"
_cell_length_a 5.55733
_cell_length_b 9.009159
_cell_length_c 29.151278
_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 Cr24N48
_chemical_formula_sum "Cr24 N48"
_cell_length_a 5.55733
_cell_length_b 9.009159
_cell_length_c 29.151278
_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 | 96a9dec6-efa5-452a-82a6-be7f8d1d97cb | mp-558751 | Move atoms at indices [31, 2, 35, 51, 5, 6, 34, 21, 17, 36, 18, 8, 15, 1, 47, 43, 10, 11, 32, 33, 13, 23, 12, 24, 7, 4, 3, 40, 55, 38, 49, 46, 45, 48, 42, 9, 37, 22, 50, 14, 52, 39, 29, 44, 19, 53, 26, 25, 0, 27, 41, 16] by [-2.884 -1.171 2.395] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca8Bi16O32
_chemical_formula_sum "Ca8 Bi16 O32"
_cell_length_a 10.19674131
_cell_length_b 10.19674131
_cell_length_c 12.414665430000001
_cell_angle_alpha 61.70359441
_cell_angle_beta 61.70359441
_cell_angle_gamma 68.83986534
_space... | data_image0
_chemical_formula_structural Ca8Bi16O32
_chemical_formula_sum "Ca8 Bi16 O32"
_cell_length_a 10.19674131
_cell_length_b 10.19674131
_cell_length_c 12.414665430000001
_cell_angle_alpha 61.70359441
_cell_angle_beta 61.70359441
_cell_angle_gamma 68.83986534
_space... |
MoveSelectedAtomsAction | 6e351130-675c-40b3-b53b-016b689962d9 | mp-1185731 | Move atoms at indices [18, 24, 16, 28, 26, 6, 15, 4, 2, 20, 19] by [0.559 0.242 2.957] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg16ScAl12
_chemical_formula_sum "Mg16 Sc1 Al12"
_cell_length_a 9.16029477
_cell_length_b 9.16029477
_cell_length_c 9.01834046
_cell_angle_alpha 70.75163881999998
_cell_angle_beta 70.75163881999998
_cell_angle_gamma 109.592206500000... | data_image0
_chemical_formula_structural Mg16ScAl12
_chemical_formula_sum "Mg16 Sc1 Al12"
_cell_length_a 9.16029477
_cell_length_b 9.16029477
_cell_length_c 9.01834046
_cell_angle_alpha 70.75163881999998
_cell_angle_beta 70.75163881999998
_cell_angle_gamma 109.592206500000... |
MoveSelectedAtomsAction | 582174be-887a-4a24-97a7-9e0e244a2f62 | mp-6488 | Move atoms at indices [49, 51, 10, 50, 38, 11, 36, 43, 15, 0, 58, 46, 4, 6, 52, 30, 45, 1, 24, 54, 14, 28, 3, 12, 29, 8, 21, 34, 48, 62, 9, 25, 56, 47, 41, 22, 18, 23, 35, 40, 53, 19] by [-0.861 -2.655 -3.055] angstrom in the cif file. | data_image0
_chemical_formula_structural K8Ti8As8O40
_chemical_formula_sum "K8 Ti8 As8 O40"
_cell_length_a 6.680827
_cell_length_b 10.926278
_cell_length_c 13.349936
_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 K8Ti8As8O40
_chemical_formula_sum "K8 Ti8 As8 O40"
_cell_length_a 6.680827
_cell_length_b 10.926278
_cell_length_c 13.349936
_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 | 2afc0440-c4c0-4d47-be00-c5316b8e1828 | mp-1198520 | Move atoms at indices [25, 24, 19, 33, 11, 22] by [2.197 1.072 1.691] angstrom in the cif file. | data_image0
_chemical_formula_structural Cu8S2O24
_chemical_formula_sum "Cu8 S2 O24"
_cell_length_a 5.194531
_cell_length_b 5.88042304
_cell_length_c 14.122911279999999
_cell_angle_alpha 93.28651424
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cu8S2O24
_chemical_formula_sum "Cu8 S2 O24"
_cell_length_a 5.194531
_cell_length_b 5.88042304
_cell_length_c 14.122911279999999
_cell_angle_alpha 93.28651424
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | f782fc6f-88bd-49dd-b7cf-8bae21f2e58d | mp-757107 | Move atoms at indices [17, 24, 1, 15, 23, 11] by [-1.311 -3.778 -4.161] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Fe4Si4O14
_chemical_formula_sum "Li4 Fe4 Si4 O14"
_cell_length_a 4.93703652
_cell_length_b 13.34065991
_cell_length_c 4.9369259
_cell_angle_alpha 90.04725306
_cell_angle_beta 61.83299907
_cell_angle_gamma 89.92760327000002
_spac... | data_image0
_chemical_formula_structural Li4Fe4Si4O14
_chemical_formula_sum "Li4 Fe4 Si4 O14"
_cell_length_a 4.93703652
_cell_length_b 13.34065991
_cell_length_c 4.9369259
_cell_angle_alpha 90.04725306
_cell_angle_beta 61.83299907
_cell_angle_gamma 89.92760327000002
_spac... |
MoveSelectedAtomsAction | 99a0683d-b21d-4510-b9d8-557579d57759 | mp-1106293 | Move atoms at indices [1, 7, 10, 17, 4, 13, 12, 6, 0, 19, 8] by [ 1.929 -1.063 1.151] angstrom in the cif file. | data_image0
_chemical_formula_structural Eu4Zr4O12
_chemical_formula_sum "Eu4 Zr4 O12"
_cell_length_a 5.74546581
_cell_length_b 5.84474033
_cell_length_c 8.1659234
_cell_angle_alpha 90.0000538
_cell_angle_beta 90.0001131
_cell_angle_gamma 90.00000107
_space_group_name_H-M... | data_image0
_chemical_formula_structural Eu4Zr4O12
_chemical_formula_sum "Eu4 Zr4 O12"
_cell_length_a 5.74546581
_cell_length_b 5.84474033
_cell_length_c 8.1659234
_cell_angle_alpha 90.0000538
_cell_angle_beta 90.0001131
_cell_angle_gamma 90.00000107
_space_group_name_H-M... |
MoveSelectedAtomsAction | eaa8b187-76fc-4b94-9f45-20005c37601f | mp-1667139 | Move atoms at indices [46, 31, 0, 34, 32, 28, 40, 10, 13, 6, 51, 15, 20, 49, 14, 45, 50, 44, 3, 37, 11, 43, 35, 38, 7, 36, 9, 8, 2, 12, 39, 21, 41, 4, 1, 25, 23, 33] by [-0.386 0.801 -4.228] angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Li8Fe4P4C4O28
_chemical_formula_sum "Na4 Li8 Fe4 P4 C4 O28"
_cell_length_a 5.06386532
_cell_length_b 11.2248252
_cell_length_c 10.67264271
_cell_angle_alpha 104.4699212
_cell_angle_beta 92.92328863
_cell_angle_gamma 86.98602994
... | data_image0
_chemical_formula_structural Na4Li8Fe4P4C4O28
_chemical_formula_sum "Na4 Li8 Fe4 P4 C4 O28"
_cell_length_a 5.06386532
_cell_length_b 11.2248252
_cell_length_c 10.67264271
_cell_angle_alpha 104.4699212
_cell_angle_beta 92.92328863
_cell_angle_gamma 86.98602994
... |
MoveSelectedAtomsAction | 6284ef19-0e7f-4988-b99b-f44fd3306d43 | mp-1197452 | Move atoms at indices [11, 9, 28, 5, 12, 23, 2, 16, 0, 25, 18, 8, 6, 17, 29, 1, 31, 15, 33, 19, 3, 7, 21, 34, 24, 35, 27, 30, 26, 22, 10, 20, 13] by [ 1.835 -3.266 1.921] angstrom in the cif file. | data_image0
_chemical_formula_structural Ni4P4C20O8
_chemical_formula_sum "Ni4 P4 C20 O8"
_cell_length_a 7.12980752
_cell_length_b 10.5379638
_cell_length_c 12.190615
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 83.76935544
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ni4P4C20O8
_chemical_formula_sum "Ni4 P4 C20 O8"
_cell_length_a 7.12980752
_cell_length_b 10.5379638
_cell_length_c 12.190615
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 83.76935544
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | 92de8777-0c99-4765-8ae7-410d51f4b979 | mp-1047 | Move atoms at indices [1, 0, 3, 4, 6, 9, 2, 5, 7] by [ 0.564 -3.438 0.444] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca6N4
_chemical_formula_sum "Ca6 N4"
_cell_length_a 6.57503857
_cell_length_b 6.57503757
_cell_length_c 6.575037730000001
_cell_angle_alpha 56.04671973000001
_cell_angle_beta 56.04673021
_cell_angle_gamma 56.046734570000005
_space_... | data_image0
_chemical_formula_structural Ca6N4
_chemical_formula_sum "Ca6 N4"
_cell_length_a 6.57503857
_cell_length_b 6.57503757
_cell_length_c 6.575037730000001
_cell_angle_alpha 56.04671973000001
_cell_angle_beta 56.04673021
_cell_angle_gamma 56.046734570000005
_space_... |
MoveSelectedAtomsAction | 60b7e61b-aa3e-4731-8c07-6ad7e0d180e5 | mp-695955 | Move atoms at indices [0, 23, 18, 43, 30, 38, 25, 12, 6, 20, 39, 11, 1, 3, 48, 36, 24, 22, 28, 53, 15, 32, 52, 17, 16, 14, 34, 49, 46, 2, 35, 5, 13, 40, 31, 4, 21, 37, 50, 44, 47, 51, 41, 42, 27, 19, 10, 8, 7, 45, 33, 26, 9] by [-0.259 0.756 0.967] angstrom in the cif file. | data_image0
_chemical_formula_structural P6H22N8O18
_chemical_formula_sum "P6 H22 N8 O18"
_cell_length_a 8.034132
_cell_length_b 8.26015182
_cell_length_c 8.52604156
_cell_angle_alpha 78.17442647
_cell_angle_beta 75.33512221
_cell_angle_gamma 86.16244251999998
_space_grou... | data_image0
_chemical_formula_structural P6H22N8O18
_chemical_formula_sum "P6 H22 N8 O18"
_cell_length_a 8.034132
_cell_length_b 8.26015182
_cell_length_c 8.52604156
_cell_angle_alpha 78.17442647
_cell_angle_beta 75.33512221
_cell_angle_gamma 86.16244251999998
_space_grou... |
MoveSelectedAtomsAction | 7fbecb53-5b4b-46a0-b75b-1fc233134320 | mp-676665 | Move atoms at indices [19, 35, 11, 4, 5, 18, 7, 3, 33, 20, 16, 2, 0, 14, 10, 17, 29, 28, 27, 26, 12, 9] by [-2.702 0.667 -5.383] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba8Ta4Ti2Zn2O24
_chemical_formula_sum "Ba8 Ta4 Ti2 Zn2 O24"
_cell_length_a 10.10342246
_cell_length_b 10.103422459999999
_cell_length_c 10.10342246
_cell_angle_alpha 132.09728127
_cell_angle_beta 132.09728127
_cell_angle_gamma 70.07... | data_image0
_chemical_formula_structural Ba8Ta4Ti2Zn2O24
_chemical_formula_sum "Ba8 Ta4 Ti2 Zn2 O24"
_cell_length_a 10.10342246
_cell_length_b 10.103422459999999
_cell_length_c 10.10342246
_cell_angle_alpha 132.09728127
_cell_angle_beta 132.09728127
_cell_angle_gamma 70.07... |
MoveSelectedAtomsAction | 4f0cce91-36d8-48de-8197-27241b9021b9 | mp-1193985 | Move atoms at indices [23, 25, 0, 14, 10, 12, 15, 20, 5] by [1.85 1.217 4.205] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta2Co21B6
_chemical_formula_sum "Ta2 Co21 B6"
_cell_length_a 7.42278272
_cell_length_b 7.42278272
_cell_length_c 7.42278272
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Ta2Co21B6
_chemical_formula_sum "Ta2 Co21 B6"
_cell_length_a 7.42278272
_cell_length_b 7.42278272
_cell_length_c 7.42278272
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... |
MoveSelectedAtomsAction | 0a30185f-21ad-4359-b68c-6186929a3684 | mp-1213900 | Move atoms at indices [53, 63, 4, 50, 29, 56, 52, 41, 22, 42, 24, 71, 62, 10, 73, 12, 0, 57, 36, 28, 74, 47, 16, 34, 64, 59, 21, 38, 18, 48, 2, 61, 49, 7, 3, 72, 25, 14, 43, 44, 75, 40, 30, 68, 39, 46, 1, 11, 19, 60, 17, 67, 20, 26, 33, 9, 70, 8, 37, 13, 5, 54, 32, 15, 6, 51, 69, 55, 23, 31, 66, 27, 58, 35] by [-2.281 ... | data_image0
_chemical_formula_structural Co8S12N8O48
_chemical_formula_sum "Co8 S12 N8 O48"
_cell_length_a 9.906579
_cell_length_b 9.906579
_cell_length_c 9.906579
_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 Co8S12N8O48
_chemical_formula_sum "Co8 S12 N8 O48"
_cell_length_a 9.906579
_cell_length_b 9.906579
_cell_length_c 9.906579
_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 | 3eb8f014-549b-41ff-93f3-10a635ff51ca | mp-2228948 | Move atoms at indices [16, 9, 12] by [0.091 3.774 2.389] angstrom in the cif file. | data_image0
_chemical_formula_structural MgSb2P2H2O10
_chemical_formula_sum "Mg1 Sb2 P2 H2 O10"
_cell_length_a 5.76325631
_cell_length_b 8.85352955
_cell_length_c 5.20686331
_cell_angle_alpha 113.16759672999999
_cell_angle_beta 96.79631689000001
_cell_angle_gamma 102.11707... | data_image0
_chemical_formula_structural MgSb2P2H2O10
_chemical_formula_sum "Mg1 Sb2 P2 H2 O10"
_cell_length_a 5.76325631
_cell_length_b 8.85352955
_cell_length_c 5.20686331
_cell_angle_alpha 113.16759672999999
_cell_angle_beta 96.79631689000001
_cell_angle_gamma 102.11707... |
MoveSelectedAtomsAction | f770eaa6-8c3f-4879-8244-46e4fbc42583 | mp-1046973 | Move atoms at indices [13, 21] by [-1.677 -0.997 0.837] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb4Zn4Ni2O16
_chemical_formula_sum "Nb4 Zn4 Ni2 O16"
_cell_length_a 10.09959759
_cell_length_b 10.09959759
_cell_length_c 5.258447
_cell_angle_alpha 89.67078171
_cell_angle_beta 89.67078171
_cell_angle_gamma 34.15230613
_space_grou... | data_image0
_chemical_formula_structural Nb4Zn4Ni2O16
_chemical_formula_sum "Nb4 Zn4 Ni2 O16"
_cell_length_a 10.09959759
_cell_length_b 10.09959759
_cell_length_c 5.258447
_cell_angle_alpha 89.67078171
_cell_angle_beta 89.67078171
_cell_angle_gamma 34.15230613
_space_grou... |
MoveSelectedAtomsAction | bbc96162-6dbb-4fec-915c-e6f0e9cb4d1c | mp-1228150 | Move atoms at indices [17, 12, 13, 15, 5, 4, 9, 8, 18, 2, 10, 0, 14, 11, 3, 1] by [4.553 1.132 1.259] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba3LaNb3O12
_chemical_formula_sum "Ba3 La1 Nb3 O12"
_cell_length_a 9.93219031
_cell_length_b 9.932190310000001
_cell_length_c 9.93218995
_cell_angle_alpha 34.142241270000014
_cell_angle_beta 34.142241270000014
_cell_angle_gamma 34.1... | data_image0
_chemical_formula_structural Ba3LaNb3O12
_chemical_formula_sum "Ba3 La1 Nb3 O12"
_cell_length_a 9.93219031
_cell_length_b 9.932190310000001
_cell_length_c 9.93218995
_cell_angle_alpha 34.142241270000014
_cell_angle_beta 34.142241270000014
_cell_angle_gamma 34.1... |
MoveSelectedAtomsAction | 2c8f2507-837d-49a4-b3f2-af30ab6ec69b | mp-2240197 | Move atoms at indices [0, 6, 9, 7, 5, 1, 2, 3] by [-2.52 -4.847 0.636] angstrom in the cif file. | data_image0
_chemical_formula_structural MgV2H2O5
_chemical_formula_sum "Mg1 V2 H2 O5"
_cell_length_a 3.08567311
_cell_length_b 5.18458825
_cell_length_c 6.51517495
_cell_angle_alpha 101.57425296
_cell_angle_beta 103.70241191
_cell_angle_gamma 89.99272988000001
_space_gro... | data_image0
_chemical_formula_structural MgV2H2O5
_chemical_formula_sum "Mg1 V2 H2 O5"
_cell_length_a 3.08567311
_cell_length_b 5.18458825
_cell_length_c 6.51517495
_cell_angle_alpha 101.57425296
_cell_angle_beta 103.70241191
_cell_angle_gamma 89.99272988000001
_space_gro... |
MoveSelectedAtomsAction | de395430-ca31-4516-82be-2b55e719ac91 | mp-1100332 | Move atoms at indices [0, 11, 9, 7, 5, 4, 13, 10, 2, 12, 6] by [-1.8 1.812 5.185] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Sn2S8
_chemical_formula_sum "Ca4 Sn2 S8"
_cell_length_a 7.98651512
_cell_length_b 7.98651512
_cell_length_c 7.986515119999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999999999... | data_image0
_chemical_formula_structural Ca4Sn2S8
_chemical_formula_sum "Ca4 Sn2 S8"
_cell_length_a 7.98651512
_cell_length_b 7.98651512
_cell_length_c 7.986515119999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999999999... |
MoveSelectedAtomsAction | 096f52ba-3405-4a7c-b6fe-7274548c57cf | mp-31430 | Move atoms at indices [14, 4, 12, 17, 22, 15, 1, 20, 23, 8, 9, 21, 6, 13, 19, 2, 18] by [ 1.246 -3.383 2.271] angstrom in the cif file. | data_image0
_chemical_formula_structural Na16In8
_chemical_formula_sum "Na16 In8"
_cell_length_a 8.15097133
_cell_length_b 8.15097091
_cell_length_c 11.60454069
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 114.66587737
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Na16In8
_chemical_formula_sum "Na16 In8"
_cell_length_a 8.15097133
_cell_length_b 8.15097091
_cell_length_c 11.60454069
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 114.66587737
_space_group_name_H-M_alt "P 1"
... |
MoveSelectedAtomsAction | e8de4815-abc3-43ad-ac4b-a0efb355af2a | mp-2715422 | Move atoms at indices [77, 18, 71, 58, 62, 24, 30, 7, 33, 66, 36, 54, 72, 9, 70, 32, 11, 0, 45, 26, 4, 40, 20, 61, 53, 19, 34, 6, 73, 16, 55, 50] by [ 1.214 -2.426 -2.751] angstrom in the cif file. | data_image0
_chemical_formula_structural Na12Sc4Al4P12O48
_chemical_formula_sum "Na12 Sc4 Al4 P12 O48"
_cell_length_a 15.30176184
_cell_length_b 8.79478446
_cell_length_c 8.85877168
_cell_angle_alpha 90.10127945
_cell_angle_beta 124.79781841
_cell_angle_gamma 89.9567243299... | data_image0
_chemical_formula_structural Na12Sc4Al4P12O48
_chemical_formula_sum "Na12 Sc4 Al4 P12 O48"
_cell_length_a 15.30176184
_cell_length_b 8.79478446
_cell_length_c 8.85877168
_cell_angle_alpha 90.10127945
_cell_angle_beta 124.79781841
_cell_angle_gamma 89.9567243299... |
MoveSelectedAtomsAction | 4104de69-0026-46bd-bbe1-a2128ad68ce9 | mp-558850 | Move atoms at indices [16, 3, 6, 19, 9, 4, 15, 10, 2, 0, 14, 13, 21, 1, 11, 23, 17, 7, 12, 5, 20, 22] by [-1.256 1.355 1.277] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2Nd2W4O16
_chemical_formula_sum "Rb2 Nd2 W4 O16"
_cell_length_a 7.76133376
_cell_length_b 7.76133376
_cell_length_c 7.59294762
_cell_angle_alpha 62.74418263
_cell_angle_beta 62.74418263
_cell_angle_gamma 89.31264594
_space_group_... | data_image0
_chemical_formula_structural Rb2Nd2W4O16
_chemical_formula_sum "Rb2 Nd2 W4 O16"
_cell_length_a 7.76133376
_cell_length_b 7.76133376
_cell_length_c 7.59294762
_cell_angle_alpha 62.74418263
_cell_angle_beta 62.74418263
_cell_angle_gamma 89.31264594
_space_group_... |
MoveSelectedAtomsAction | b0762efa-3792-4413-a875-75212b44e9cf | mp-30276 | Move atoms at indices [5, 18, 0, 22, 31] by [-2.363 -2.055 4.1 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ce20Ga10Cl8
_chemical_formula_sum "Ce20 Ga10 Cl8"
_cell_length_a 16.57767287
_cell_length_b 16.577672870000004
_cell_length_c 16.57767287
_cell_angle_alpha 152.84439716
_cell_angle_beta 152.84439716
_cell_angle_gamma 38.781467470000... | data_image0
_chemical_formula_structural Ce20Ga10Cl8
_chemical_formula_sum "Ce20 Ga10 Cl8"
_cell_length_a 16.57767287
_cell_length_b 16.577672870000004
_cell_length_c 16.57767287
_cell_angle_alpha 152.84439716
_cell_angle_beta 152.84439716
_cell_angle_gamma 38.781467470000... |
MoveSelectedAtomsAction | 66f7ad2b-9bfd-4daf-a70a-29e81ff606b3 | mp-1246300 | Move atoms at indices [18, 1, 0, 14, 9, 8, 35, 12, 19, 10, 20, 31, 17, 15] by [ 3.748 -1.59 -2.249] angstrom in the cif file. | data_image0
_chemical_formula_structural Bi16Se12N8
_chemical_formula_sum "Bi16 Se12 N8"
_cell_length_a 7.18073703
_cell_length_b 11.15247521
_cell_length_c 11.08990782
_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 Bi16Se12N8
_chemical_formula_sum "Bi16 Se12 N8"
_cell_length_a 7.18073703
_cell_length_b 11.15247521
_cell_length_c 11.08990782
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveSelectedAtomsAction | 3a10a359-caf0-43f9-bb86-7ff124ee83d5 | mp-5214 | Move atoms at indices [16, 46] by [0.485 0.831 1.586] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti4Te12O32
_chemical_formula_sum "Ti4 Te12 O32"
_cell_length_a 9.53573741
_cell_length_b 9.53564435
_cell_length_c 9.53570518
_cell_angle_alpha 109.47124752
_cell_angle_beta 109.4706876
_cell_angle_gamma 109.47161738
_space_group_n... | data_image0
_chemical_formula_structural Ti4Te12O32
_chemical_formula_sum "Ti4 Te12 O32"
_cell_length_a 9.53573741
_cell_length_b 9.53564435
_cell_length_c 9.53570518
_cell_angle_alpha 109.47124752
_cell_angle_beta 109.4706876
_cell_angle_gamma 109.47161738
_space_group_n... |
MoveSelectedAtomsAction | 24436be0-9750-435e-9b57-11359a93e7e6 | mp-18973 | Move atoms at indices [12, 26, 4, 2, 24, 28, 16, 15, 22, 10, 23, 17, 7, 20, 8, 18, 31, 6, 27, 21, 11, 1, 9, 19, 5, 14, 0, 29, 3, 25, 30, 13] by [-3.267 1.511 -2.189] angstrom in the cif file. | data_image0
_chemical_formula_structural Co4Se8O20
_chemical_formula_sum "Co4 Se8 O20"
_cell_length_a 6.03250795
_cell_length_b 6.854543640000001
_cell_length_c 10.32688205
_cell_angle_alpha 90.00041396
_cell_angle_beta 89.99939194000001
_cell_angle_gamma 89.99181073
_spa... | data_image0
_chemical_formula_structural Co4Se8O20
_chemical_formula_sum "Co4 Se8 O20"
_cell_length_a 6.03250795
_cell_length_b 6.854543640000001
_cell_length_c 10.32688205
_cell_angle_alpha 90.00041396
_cell_angle_beta 89.99939194000001
_cell_angle_gamma 89.99181073
_spa... |
MoveSelectedAtomsAction | 8e31ae3a-ded8-41b7-967c-1eff9df18ea2 | mp-1079383 | Move atoms at indices [8, 9, 6, 1, 2, 4, 3, 0, 7] by [ 0.552 -2.489 -0.355] angstrom in the cif file. | data_image0
_chemical_formula_structural Ce4In2Cu4
_chemical_formula_sum "Ce4 In2 Cu4"
_cell_length_a 8.380093
_cell_length_b 8.380093
_cell_length_c 3.154539
_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 Ce4In2Cu4
_chemical_formula_sum "Ce4 In2 Cu4"
_cell_length_a 8.380093
_cell_length_b 8.380093
_cell_length_c 3.154539
_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 | 016989e8-0e63-4316-afae-40395cebf7b9 | mp-772024 | Move atoms at indices [26, 23, 32, 25, 29, 41, 5, 37, 33, 27, 16, 47, 19, 1, 8, 18, 36, 42, 14, 21, 2, 46, 9, 39] by [ 0.246 1.527 -2.228] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba12La4Br36
_chemical_formula_sum "Ba12 La4 Br36"
_cell_length_a 7.538961
_cell_length_b 8.100884
_cell_length_c 31.53521157
_cell_angle_alpha 87.93795992
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ba12La4Br36
_chemical_formula_sum "Ba12 La4 Br36"
_cell_length_a 7.538961
_cell_length_b 8.100884
_cell_length_c 31.53521157
_cell_angle_alpha 87.93795992
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveSelectedAtomsAction | 73b3e864-e971-4370-ba1c-34f952fe58c5 | mp-15514 | Move atoms at indices [3, 20, 10, 15, 22, 21, 11] by [ 2.006 -4.599 0.045] angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Se16
_chemical_formula_sum "Na8 Se16"
_cell_length_a 9.43549015
_cell_length_b 9.43548998
_cell_length_c 9.43548941
_cell_angle_alpha 101.08664555
_cell_angle_beta 113.81929890999999
_cell_angle_gamma 113.81929052
_space_group_n... | data_image0
_chemical_formula_structural Na8Se16
_chemical_formula_sum "Na8 Se16"
_cell_length_a 9.43549015
_cell_length_b 9.43548998
_cell_length_c 9.43548941
_cell_angle_alpha 101.08664555
_cell_angle_beta 113.81929890999999
_cell_angle_gamma 113.81929052
_space_group_n... |
MoveSelectedAtomsAction | a830fc44-523d-4553-a385-c7c622c166fc | mp-761166 | Move atoms at indices [9, 3, 1, 6, 0, 5, 4] by [ 3.117 -2.122 -0.656] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Fe2F6
_chemical_formula_sum "Li2 Fe2 F6"
_cell_length_a 5.26450736
_cell_length_b 5.26450736
_cell_length_c 5.58662632
_cell_angle_alpha 62.53720544
_cell_angle_beta 62.53720544
_cell_angle_gamma 59.64166649999999
_space_group_n... | data_image0
_chemical_formula_structural Li2Fe2F6
_chemical_formula_sum "Li2 Fe2 F6"
_cell_length_a 5.26450736
_cell_length_b 5.26450736
_cell_length_c 5.58662632
_cell_angle_alpha 62.53720544
_cell_angle_beta 62.53720544
_cell_angle_gamma 59.64166649999999
_space_group_n... |
MoveSelectedAtomsAction | fb2b7b7e-c58a-4330-bfea-9a4f28412062 | mp-1026435 | Move atoms at indices [0, 5, 2, 12, 7, 4, 3] by [-1.173 0.761 -0.504] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14TiMo
_chemical_formula_sum "Mg14 Ti1 Mo1"
_cell_length_a 6.29406518
_cell_length_b 6.29406468
_cell_length_c 9.97224972
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000263999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mg14TiMo
_chemical_formula_sum "Mg14 Ti1 Mo1"
_cell_length_a 6.29406518
_cell_length_b 6.29406468
_cell_length_c 9.97224972
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000263999999
_space_group_name_H-M_alt... |
MoveSelectedAtomsAction | 6363d3f0-6202-4f74-83fc-34ec35e0bc35 | mp-1221912 | Move atoms at indices [1, 9] by [1.951 2.467 0.71 ] 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 | 663ae2cd-2d8b-43dc-89c5-50fc40634b86 | mp-1229052 | Move atoms at indices [10, 1, 6, 11, 33, 39, 27, 14, 18, 4, 5, 15, 13, 9, 36, 41, 28, 12, 43, 37, 29, 17, 26, 38, 7] by [-1.107 3.028 -3.381] angstrom in the cif file. | data_image0
_chemical_formula_structural Al41V4
_chemical_formula_sum "Al41 V4"
_cell_length_a 10.13341311
_cell_length_b 10.133404340000002
_cell_length_c 10.13343431
_cell_angle_alpha 60.00027868000001
_cell_angle_beta 60.00000942
_cell_angle_gamma 60.00008363
_space_gr... | data_image0
_chemical_formula_structural Al41V4
_chemical_formula_sum "Al41 V4"
_cell_length_a 10.13341311
_cell_length_b 10.133404340000002
_cell_length_c 10.13343431
_cell_angle_alpha 60.00027868000001
_cell_angle_beta 60.00000942
_cell_angle_gamma 60.00008363
_space_gr... |
MoveSelectedAtomsAction | aa2c885e-636f-44b1-b6f4-9b6797788d57 | mp-1207687 | Move atoms at indices [5, 14, 0, 11, 7, 6, 15, 3, 17, 16, 8, 9, 1, 12, 10, 13, 4, 18] by [ 0.924 -0.01 -2.883] 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... |
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