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 | d119fe66-9724-4efe-ac59-7a00b41ef4fd | mp-1210688 | Move atoms at indices [12, 5, 13, 2] by [-2.277 2.341 0.588] angstrom in the cif file. | data_image0
_chemical_formula_structural Na11TiNb2Si4P2O24F2
_chemical_formula_sum "Na11 Ti1 Nb2 Si4 P2 O24 F2"
_cell_length_a 5.617235
_cell_length_b 7.28603345
_cell_length_c 14.706664049999999
_cell_angle_alpha 92.80692553
_cell_angle_beta 95.61673149
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Na11TiNb2Si4P2O24F2
_chemical_formula_sum "Na11 Ti1 Nb2 Si4 P2 O24 F2"
_cell_length_a 5.617235
_cell_length_b 7.28603345
_cell_length_c 14.706664049999999
_cell_angle_alpha 92.80692553
_cell_angle_beta 95.61673149
_cell_angle_gamma ... |
MoveSelectedAtomsAction | a1ccbae8-92d1-4cff-9322-01b05fb98465 | mp-1332857 | Move atoms at indices [53, 14, 29, 36, 34, 4, 41, 15, 54, 23, 24, 11, 47, 26, 48, 32, 28, 3, 8, 5, 10, 30, 0, 43, 35, 52, 38, 2] by [-0.468 1.621 3.358] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn16Zn8O32
_chemical_formula_sum "Mn16 Zn8 O32"
_cell_length_a 6.08388035
_cell_length_b 6.083880349999999
_cell_length_c 20.13315765
_cell_angle_alpha 81.59376542
_cell_angle_beta 81.59376542
_cell_angle_gamma 59.72851362
_space_g... | data_image0
_chemical_formula_structural Mn16Zn8O32
_chemical_formula_sum "Mn16 Zn8 O32"
_cell_length_a 6.08388035
_cell_length_b 6.083880349999999
_cell_length_c 20.13315765
_cell_angle_alpha 81.59376542
_cell_angle_beta 81.59376542
_cell_angle_gamma 59.72851362
_space_g... |
MoveSelectedAtomsAction | 68f6d1a3-5717-4d69-b931-dff866e11604 | mp-1210254 | Move atoms at indices [17, 8, 5, 11] by [-3.013 -1.071 -2.906] angstrom in the cif file. | data_image0
_chemical_formula_structural Ni4O16F8
_chemical_formula_sum "Ni4 O16 F8"
_cell_length_a 5.372365
_cell_length_b 6.329703
_cell_length_c 11.432453
_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 Ni4O16F8
_chemical_formula_sum "Ni4 O16 F8"
_cell_length_a 5.372365
_cell_length_b 6.329703
_cell_length_c 11.432453
_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 | c6f2c1ce-a02b-4ed8-ad42-5e3ae64cc1bd | mp-989179 | Move atoms at indices [5, 14, 24, 22, 9, 10, 2, 20, 16, 4, 17, 12, 23, 8, 6, 13, 0, 21, 15, 18, 7, 25, 3, 1, 11] by [-0.06 2.92 1.159] angstrom in the cif file. | data_image0
_chemical_formula_structural Mo8H2S16
_chemical_formula_sum "Mo8 H2 S16"
_cell_length_a 3.144754
_cell_length_b 13.034438
_cell_length_c 29.668735
_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 Mo8H2S16
_chemical_formula_sum "Mo8 H2 S16"
_cell_length_a 3.144754
_cell_length_b 13.034438
_cell_length_c 29.668735
_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 | 1c4c0d2e-cdf1-4a87-89fa-49eba03caaa4 | mp-1244962 | Move atoms at indices [44, 50, 1, 66, 71, 43, 2, 73, 40, 3, 68, 46, 60, 38, 18, 21, 13, 56, 20, 67, 62, 59, 5, 26, 54, 28, 58, 17, 77, 70, 48, 74, 55, 47, 32, 10, 51, 34, 8, 49, 75] by [ 1.066 -5.617 2.001] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg40O40
_chemical_formula_sum "Mg40 O40"
_cell_length_a 10.36242297
_cell_length_b 9.006326130000001
_cell_length_c 10.174512770000002
_cell_angle_alpha 96.13607717
_cell_angle_beta 88.32727291
_cell_angle_gamma 90.70177381
_space_... | data_image0
_chemical_formula_structural Mg40O40
_chemical_formula_sum "Mg40 O40"
_cell_length_a 10.36242297
_cell_length_b 9.006326130000001
_cell_length_c 10.174512770000002
_cell_angle_alpha 96.13607717
_cell_angle_beta 88.32727291
_cell_angle_gamma 90.70177381
_space_... |
MoveSelectedAtomsAction | fffe62ef-2df0-4314-a9aa-005b9285cff6 | mp-766138 | Move atoms at indices [29, 0, 17, 11, 28, 16, 24, 14, 18, 2, 22, 5, 12] by [-6.442 0.554 0.655] angstrom in the cif file. | data_image0
_chemical_formula_structural Li6Fe4P4O20
_chemical_formula_sum "Li6 Fe4 P4 O20"
_cell_length_a 6.44122171
_cell_length_b 6.44122171
_cell_length_c 8.691184
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.70847916999999
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Li6Fe4P4O20
_chemical_formula_sum "Li6 Fe4 P4 O20"
_cell_length_a 6.44122171
_cell_length_b 6.44122171
_cell_length_c 8.691184
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.70847916999999
_space_group_name_H-M_a... |
MoveSelectedAtomsAction | 2f631797-b248-441d-a425-8adb5e09003b | mp-696780 | Move atoms at indices [38, 34, 0, 23, 30, 7, 40, 8, 31, 11, 18, 41, 21, 1, 3, 14, 16, 12, 29, 10, 17, 28, 25, 19, 36, 24, 35, 33, 39, 22, 20, 4, 26, 32, 27, 9, 15, 13] by [-1.025 2.099 1.223] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe2P4H16O20
_chemical_formula_sum "Fe2 P4 H16 O20"
_cell_length_a 9.748221
_cell_length_b 6.066428
_cell_length_c 8.7510914
_cell_angle_alpha 54.75552624
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Fe2P4H16O20
_chemical_formula_sum "Fe2 P4 H16 O20"
_cell_length_a 9.748221
_cell_length_b 6.066428
_cell_length_c 8.7510914
_cell_angle_alpha 54.75552624
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveSelectedAtomsAction | dd65d50d-b791-4a43-8e1c-f90ca115f0f2 | mp-1666930 | Move atoms at indices [34, 31, 22, 24, 1, 17, 19, 0, 10, 38, 33, 30, 35, 26, 9, 5] by [ 0.743 -4.499 -3.671] angstrom in the cif file. | data_image0
_chemical_formula_structural Li10Cr4Co6O20
_chemical_formula_sum "Li10 Cr4 Co6 O20"
_cell_length_a 5.0762398
_cell_length_b 7.80439641
_cell_length_c 10.159901889999999
_cell_angle_alpha 109.30855762999998
_cell_angle_beta 99.45585543000001
_cell_angle_gamma 70... | data_image0
_chemical_formula_structural Li10Cr4Co6O20
_chemical_formula_sum "Li10 Cr4 Co6 O20"
_cell_length_a 5.0762398
_cell_length_b 7.80439641
_cell_length_c 10.159901889999999
_cell_angle_alpha 109.30855762999998
_cell_angle_beta 99.45585543000001
_cell_angle_gamma 70... |
MoveSelectedAtomsAction | 9a8040f8-8767-445f-9925-1c3f0a3d61e5 | mp-29778 | Move atoms at indices [15, 13, 11, 9, 10, 16, 3, 8, 1, 5, 20, 0, 7, 18, 12, 4] by [ 3.687 -2.022 -5.094] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd8Ge14
_chemical_formula_sum "Nd8 Ge14"
_cell_length_a 6.03140039
_cell_length_b 7.60319809
_cell_length_c 12.06374994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.36803510000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nd8Ge14
_chemical_formula_sum "Nd8 Ge14"
_cell_length_a 6.03140039
_cell_length_b 7.60319809
_cell_length_c 12.06374994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.36803510000001
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 7727b039-16f0-4684-be74-bc226602f6a9 | mp-23702 | Move atoms at indices [14, 5, 9, 13, 10, 15, 2, 8, 11, 6, 7, 0, 12, 3, 1, 4] by [ 0.047 -1.085 1.038] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4H8N4
_chemical_formula_sum "Li4 H8 N4"
_cell_length_a 4.93582519
_cell_length_b 4.93582403
_cell_length_c 6.17904506
_cell_angle_alpha 113.54069253
_cell_angle_beta 113.54068121000002
_cell_angle_gamma 89.99999577999999
_space_g... | data_image0
_chemical_formula_structural Li4H8N4
_chemical_formula_sum "Li4 H8 N4"
_cell_length_a 4.93582519
_cell_length_b 4.93582403
_cell_length_c 6.17904506
_cell_angle_alpha 113.54069253
_cell_angle_beta 113.54068121000002
_cell_angle_gamma 89.99999577999999
_space_g... |
MoveSelectedAtomsAction | add03ff7-569a-4edb-bb7f-08c59c4387a0 | mp-1208464 | Move atoms at indices [17, 0, 5, 22, 1, 10, 15, 12, 23, 13, 2, 14, 9, 7, 20, 6, 11, 4, 3, 18, 8, 21, 19] by [-0.424 -0.065 1.323] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb16Mg4Co4
_chemical_formula_sum "Tb16 Mg4 Co4"
_cell_length_a 9.56896751
_cell_length_b 9.56904036
_cell_length_c 9.56899201
_cell_angle_alpha 59.99933482000001
_cell_angle_beta 59.99902591000001
_cell_angle_gamma 59.99920851
_spa... | data_image0
_chemical_formula_structural Tb16Mg4Co4
_chemical_formula_sum "Tb16 Mg4 Co4"
_cell_length_a 9.56896751
_cell_length_b 9.56904036
_cell_length_c 9.56899201
_cell_angle_alpha 59.99933482000001
_cell_angle_beta 59.99902591000001
_cell_angle_gamma 59.99920851
_spa... |
MoveSelectedAtomsAction | 53e32925-d409-485d-bfe0-7af289cff521 | mp-1097047 | Move atoms at indices [9, 15, 4, 6, 19, 28, 5, 17, 20, 13, 26, 30, 33] by [-0.364 -2.412 -2.045] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe4Cu8B4O20
_chemical_formula_sum "Fe4 Cu8 B4 O20"
_cell_length_a 3.145458
_cell_length_b 9.74670169
_cell_length_c 12.14921419
_cell_angle_alpha 89.4287378
_cell_angle_beta 89.53839224
_cell_angle_gamma 81.59407378
_space_group_na... | data_image0
_chemical_formula_structural Fe4Cu8B4O20
_chemical_formula_sum "Fe4 Cu8 B4 O20"
_cell_length_a 3.145458
_cell_length_b 9.74670169
_cell_length_c 12.14921419
_cell_angle_alpha 89.4287378
_cell_angle_beta 89.53839224
_cell_angle_gamma 81.59407378
_space_group_na... |
MoveSelectedAtomsAction | 43a5045c-f323-467e-b4b0-50be6d79052e | mp-1516503 | Move atoms at indices [7, 2, 5, 8, 1, 3, 4, 6, 9] by [-2.416 1.472 -3.952] angstrom in the cif file. | data_image0
_chemical_formula_structural KHfNbInO6
_chemical_formula_sum "K1 Hf1 Nb1 In1 O6"
_cell_length_a 5.78982912
_cell_length_b 5.78982912
_cell_length_c 5.78982912
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... | data_image0
_chemical_formula_structural KHfNbInO6
_chemical_formula_sum "K1 Hf1 Nb1 In1 O6"
_cell_length_a 5.78982912
_cell_length_b 5.78982912
_cell_length_c 5.78982912
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... |
MoveSelectedAtomsAction | 3a7f40eb-577c-49c9-b447-9fbbb8941fa1 | mp-26956 | Move atoms at indices [49, 40, 48, 28, 39, 8, 52, 2, 1, 50, 18, 23, 36, 61] by [-4.63 0.438 -2.767] angstrom in the cif file. | data_image0
_chemical_formula_structural V4P16O48
_chemical_formula_sum "V4 P16 O48"
_cell_length_a 8.410582
_cell_length_b 9.194688
_cell_length_c 12.866543
_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 V4P16O48
_chemical_formula_sum "V4 P16 O48"
_cell_length_a 8.410582
_cell_length_b 9.194688
_cell_length_c 12.866543
_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 | 6f25b0e2-acb5-4b27-9407-673d527c6c9d | mp-1245617 | Move atoms at indices [6, 8, 17, 15, 19, 0] by [-0.556 0.268 -2.97 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr8Cr4N8
_chemical_formula_sum "Sr8 Cr4 N8"
_cell_length_a 6.32990167
_cell_length_b 11.49833427
_cell_length_c 12.449538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 24.734643490000014
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sr8Cr4N8
_chemical_formula_sum "Sr8 Cr4 N8"
_cell_length_a 6.32990167
_cell_length_b 11.49833427
_cell_length_c 12.449538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 24.734643490000014
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | bfde0580-4a25-4f33-b940-24dc1d7643c1 | mp-1105068 | Move atoms at indices [5, 11, 2, 12, 3, 8, 1, 10] by [ 1.024 -0.196 -4.248] angstrom in the cif file. | data_image0
_chemical_formula_structural BaYFe4O7
_chemical_formula_sum "Ba1 Y1 Fe4 O7"
_cell_length_a 6.47491245
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamma 87.49632515
_space_g... | data_image0
_chemical_formula_structural BaYFe4O7
_chemical_formula_sum "Ba1 Y1 Fe4 O7"
_cell_length_a 6.47491245
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamma 87.49632515
_space_g... |
MoveSelectedAtomsAction | 1c4d9d71-4afa-4aa8-b45e-cfecec46422b | mp-2229983 | Move atoms at indices [8, 7, 12, 13, 10, 18, 9, 16, 6, 14, 17, 15, 5, 3, 11] by [-0.26 -0.895 0.976] angstrom in the cif file. | data_image0
_chemical_formula_structural MgGe4Bi2O12
_chemical_formula_sum "Mg1 Ge4 Bi2 O12"
_cell_length_a 5.65643612
_cell_length_b 7.5984859600000005
_cell_length_c 7.59848734
_cell_angle_alpha 83.18987735
_cell_angle_beta 76.8823644
_cell_angle_gamma 76.88235691
_spac... | data_image0
_chemical_formula_structural MgGe4Bi2O12
_chemical_formula_sum "Mg1 Ge4 Bi2 O12"
_cell_length_a 5.65643612
_cell_length_b 7.5984859600000005
_cell_length_c 7.59848734
_cell_angle_alpha 83.18987735
_cell_angle_beta 76.8823644
_cell_angle_gamma 76.88235691
_spac... |
MoveSelectedAtomsAction | 91ce804e-88ef-4495-90b4-221d3f02a58d | mp-1320208 | Move atoms at indices [0] by [-0.99 1.784 1.526] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Y2Cr6O14
_chemical_formula_sum "Ba4 Y2 Cr6 O14"
_cell_length_a 5.62234459
_cell_length_b 12.448562939999999
_cell_length_c 5.6223467
_cell_angle_alpha 102.69537061
_cell_angle_beta 91.54529385000001
_cell_angle_gamma 102.69469371... | data_image0
_chemical_formula_structural Ba4Y2Cr6O14
_chemical_formula_sum "Ba4 Y2 Cr6 O14"
_cell_length_a 5.62234459
_cell_length_b 12.448562939999999
_cell_length_c 5.6223467
_cell_angle_alpha 102.69537061
_cell_angle_beta 91.54529385000001
_cell_angle_gamma 102.69469371... |
MoveSelectedAtomsAction | 1e2545eb-9d70-45a9-8216-b6fb7abb67fe | mp-531064 | Move atoms at indices [75, 19, 43, 81, 45, 67, 22, 34, 68, 85, 51, 48, 50, 57, 9, 84, 23, 21, 70, 52, 53, 56, 18, 0, 64, 77, 76, 42, 5, 1, 83] by [ 0.54 0.489 -0.152] angstrom in the cif file. | data_image0
_chemical_formula_structural K8Mo24Br56
_chemical_formula_sum "K8 Mo24 Br56"
_cell_length_a 14.128482
_cell_length_b 14.352916
_cell_length_c 14.393337
_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 K8Mo24Br56
_chemical_formula_sum "K8 Mo24 Br56"
_cell_length_a 14.128482
_cell_length_b 14.352916
_cell_length_c 14.393337
_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 | 6cbcae09-f1fa-4633-8baf-7e7159a1ba6c | mp-3380 | Move atoms at indices [13, 6, 15, 8, 0, 4, 7] by [ 0.092 -2.877 2.426] angstrom in the cif file. | data_image0
_chemical_formula_structural La4Rh4C8
_chemical_formula_sum "La4 Rh4 C8"
_cell_length_a 3.991291
_cell_length_b 3.991291
_cell_length_c 15.419415
_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 La4Rh4C8
_chemical_formula_sum "La4 Rh4 C8"
_cell_length_a 3.991291
_cell_length_b 3.991291
_cell_length_c 15.419415
_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 | 9fb835c4-6b9f-4e12-9dc0-ab14d3667d1f | mp-1172905 | Move atoms at indices [0, 9, 5, 3, 6, 1, 10, 11] by [ 0.791 -0.63 -0.038] angstrom in the cif file. | data_image0
_chemical_formula_structural Ag3Bi3S6
_chemical_formula_sum "Ag3 Bi3 S6"
_cell_length_a 4.04844097
_cell_length_b 4.04844097
_cell_length_c 19.110277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001577
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Ag3Bi3S6
_chemical_formula_sum "Ag3 Bi3 S6"
_cell_length_a 4.04844097
_cell_length_b 4.04844097
_cell_length_c 19.110277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001577
_space_group_name_H-M_alt "P 1"... |
MoveSelectedAtomsAction | 613c2dad-9a8d-4d46-b407-080416193f73 | mp-1211239 | Move atoms at indices [46, 24, 23, 35, 9, 49, 48, 43, 12, 7, 15, 22, 13, 45, 0, 16, 17, 2, 31, 39, 37, 28, 32, 5, 1, 8, 27, 47, 4, 21, 33, 40, 25, 14, 19, 42, 26, 10, 18, 29, 41, 20, 6, 30, 11, 36, 34, 3] by [-0.405 0.271 -3.701] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd4S6O40
_chemical_formula_sum "Nd4 S6 O40"
_cell_length_a 6.92283015
_cell_length_b 6.92283015
_cell_length_c 20.06569612
_cell_angle_alpha 81.47478249
_cell_angle_beta 81.47478249
_cell_angle_gamma 60.71262649000001
_space_group_... | data_image0
_chemical_formula_structural Nd4S6O40
_chemical_formula_sum "Nd4 S6 O40"
_cell_length_a 6.92283015
_cell_length_b 6.92283015
_cell_length_c 20.06569612
_cell_angle_alpha 81.47478249
_cell_angle_beta 81.47478249
_cell_angle_gamma 60.71262649000001
_space_group_... |
MoveSelectedAtomsAction | e6f2aff2-6e1f-43bc-ac71-ee0e31723fdc | mp-1218449 | Move atoms at indices [1, 5, 20, 13, 18] by [ 2.342 2.027 -0.826] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2Ca6Ir2O12
_chemical_formula_sum "Sr2 Ca6 Ir2 O12"
_cell_length_a 6.682358
_cell_length_b 6.682358
_cell_length_c 6.72167424
_cell_angle_alpha 89.13156517
_cell_angle_beta 89.13156517
_cell_angle_gamma 91.72627208
_space_group_na... | data_image0
_chemical_formula_structural Sr2Ca6Ir2O12
_chemical_formula_sum "Sr2 Ca6 Ir2 O12"
_cell_length_a 6.682358
_cell_length_b 6.682358
_cell_length_c 6.72167424
_cell_angle_alpha 89.13156517
_cell_angle_beta 89.13156517
_cell_angle_gamma 91.72627208
_space_group_na... |
MoveSelectedAtomsAction | ce4c25bb-4fc3-4106-ac92-1c4e15a88896 | mp-557626 | Move atoms at indices [16, 26, 8, 10, 12, 5, 15, 17, 2, 20, 14, 29, 21, 22, 31, 25, 13, 9, 19, 0, 7, 30, 1, 6, 4, 27, 24, 18, 23, 28] by [-1.402 -1.192 1.118] angstrom in the cif file. | data_image0
_chemical_formula_structural Gd8Ti4O20
_chemical_formula_sum "Gd8 Ti4 O20"
_cell_length_a 3.7458484
_cell_length_b 10.49807509
_cell_length_c 11.34388027
_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 Gd8Ti4O20
_chemical_formula_sum "Gd8 Ti4 O20"
_cell_length_a 3.7458484
_cell_length_b 10.49807509
_cell_length_c 11.34388027
_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 | 2d3711cd-8021-4ee1-95f4-c5d39c9a583e | mp-1218759 | Move atoms at indices [10, 2, 5, 8, 6, 11, 7, 4, 9, 0, 1, 12, 3] by [-0.837 0.083 2.686] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2NdTlCu2O7
_chemical_formula_sum "Sr2 Nd1 Tl1 Cu2 O7"
_cell_length_a 3.859695
_cell_length_b 3.873027
_cell_length_c 12.314699
_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 Sr2NdTlCu2O7
_chemical_formula_sum "Sr2 Nd1 Tl1 Cu2 O7"
_cell_length_a 3.859695
_cell_length_b 3.873027
_cell_length_c 12.314699
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveSelectedAtomsAction | 91e3e0e0-ea4b-4e06-a8d0-b301699d30fb | mp-1213447 | Move atoms at indices [15, 60, 37, 13, 43, 39, 16, 25, 20, 59, 1, 33, 2, 17, 45, 61, 42, 35, 10, 0, 54, 24, 40, 53, 8, 36, 11, 56, 18] by [ 2.967 -1.776 2.692] angstrom in the cif file. | data_image0
_chemical_formula_structural KBaNaCaTi4Fe8Si8O38F2
_chemical_formula_sum "K1 Ba1 Na1 Ca1 Ti4 Fe8 Si8 O38 F2"
_cell_length_a 5.40697631
_cell_length_b 7.10473773
_cell_length_c 20.84814459
_cell_angle_alpha 90.0
_cell_angle_beta 94.25512916
_cell_angle_gamma 90.... | data_image0
_chemical_formula_structural KBaNaCaTi4Fe8Si8O38F2
_chemical_formula_sum "K1 Ba1 Na1 Ca1 Ti4 Fe8 Si8 O38 F2"
_cell_length_a 5.40697631
_cell_length_b 7.10473773
_cell_length_c 20.84814459
_cell_angle_alpha 90.0
_cell_angle_beta 94.25512916
_cell_angle_gamma 90.... |
MoveSelectedAtomsAction | ee86f0ce-dc27-44cf-bc9e-5aae339c425c | mp-1521703 | Move atoms at indices [3, 6, 9, 1, 4, 8, 5, 7] by [ 1.649 3.078 -3.884] angstrom in the cif file. | data_image0
_chemical_formula_structural BaZr2SnO6
_chemical_formula_sum "Ba1 Zr2 Sn1 O6"
_cell_length_a 4.2278895
_cell_length_b 4.22779909
_cell_length_c 8.45162975
_cell_angle_alpha 90.0
_cell_angle_beta 90.02101367
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural BaZr2SnO6
_chemical_formula_sum "Ba1 Zr2 Sn1 O6"
_cell_length_a 4.2278895
_cell_length_b 4.22779909
_cell_length_c 8.45162975
_cell_angle_alpha 90.0
_cell_angle_beta 90.02101367
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | 6add34f4-2bb8-4d83-a1e5-d471aab429b2 | mp-1196464 | Move atoms at indices [6, 8, 34, 13, 24, 4, 16, 15, 3, 12, 9, 11, 2, 1, 23, 32, 27, 0, 17, 19, 31, 18] by [-1.384 1.172 1.532] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs4Fe4Ag4F24
_chemical_formula_sum "Cs4 Fe4 Ag4 F24"
_cell_length_a 7.586403
_cell_length_b 7.721376
_cell_length_c 10.868196
_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 Cs4Fe4Ag4F24
_chemical_formula_sum "Cs4 Fe4 Ag4 F24"
_cell_length_a 7.586403
_cell_length_b 7.721376
_cell_length_c 10.868196
_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 | 8a596099-e220-4f21-bf60-05beabe95b61 | mp-531661 | Move atoms at indices [42, 11, 33, 46, 3, 8, 51, 0, 38, 14, 27, 34, 57, 32] by [ 0.846 -1.733 1.24 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd10Ti12O39
_chemical_formula_sum "Nd10 Ti12 O39"
_cell_length_a 7.273009
_cell_length_b 10.2912685
_cell_length_c 12.53064596
_cell_angle_alpha 113.59612546
_cell_angle_beta 106.80972901999999
_cell_angle_gamma 88.92613835
_space_... | data_image0
_chemical_formula_structural Nd10Ti12O39
_chemical_formula_sum "Nd10 Ti12 O39"
_cell_length_a 7.273009
_cell_length_b 10.2912685
_cell_length_c 12.53064596
_cell_angle_alpha 113.59612546
_cell_angle_beta 106.80972901999999
_cell_angle_gamma 88.92613835
_space_... |
MoveSelectedAtomsAction | 9c217442-eaf6-4206-943b-e1c0a20a9c62 | mp-1175891 | Move atoms at indices [3] by [-1.509 3.893 -0.576] angstrom in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.116323
_cell_length_b 7.64613856
_cell_length_c 7.821690619999999
_cell_angle_alpha 97.97207279
_cell_angle_beta 101.73332476
_cell_angle_gamma 103.21506005
_spa... | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.116323
_cell_length_b 7.64613856
_cell_length_c 7.821690619999999
_cell_angle_alpha 97.97207279
_cell_angle_beta 101.73332476
_cell_angle_gamma 103.21506005
_spa... |
MoveSelectedAtomsAction | c5dbb675-f778-404d-84da-f8729150687b | mp-728431 | Move atoms at indices [23, 22, 7, 10, 3, 11, 5, 2, 17, 24, 16, 12, 21, 25] by [-3.15 1.071 2.879] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Cr4O18
_chemical_formula_sum "Li4 Cr4 O18"
_cell_length_a 8.53267349
_cell_length_b 8.53267349
_cell_length_c 6.6120849
_cell_angle_alpha 83.09252253
_cell_angle_beta 96.90747747
_cell_angle_gamma 120.35945653
_space_group_name_... | data_image0
_chemical_formula_structural Li4Cr4O18
_chemical_formula_sum "Li4 Cr4 O18"
_cell_length_a 8.53267349
_cell_length_b 8.53267349
_cell_length_c 6.6120849
_cell_angle_alpha 83.09252253
_cell_angle_beta 96.90747747
_cell_angle_gamma 120.35945653
_space_group_name_... |
MoveSelectedAtomsAction | 72394ef2-6426-4e74-98ae-6ebd4f7bbb70 | mp-1019719 | Move atoms at indices [2, 3, 28, 6, 78, 51, 65, 22, 74, 62, 72, 15, 58, 21, 19, 60, 12, 25, 18, 17, 5, 52, 39, 24, 38, 69, 63, 66, 40, 55, 70, 34, 71, 29, 50] by [-2.467 -4.058 0.358] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs8Si16B8O48
_chemical_formula_sum "Cs8 Si16 B8 O48"
_cell_length_a 11.38970566
_cell_length_b 11.389705660000002
_cell_length_c 11.38970566
_cell_angle_alpha 109.25511421999998
_cell_angle_beta 109.25511421999998
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Cs8Si16B8O48
_chemical_formula_sum "Cs8 Si16 B8 O48"
_cell_length_a 11.38970566
_cell_length_b 11.389705660000002
_cell_length_c 11.38970566
_cell_angle_alpha 109.25511421999998
_cell_angle_beta 109.25511421999998
_cell_angle_gamma ... |
MoveSelectedAtomsAction | 30cb253a-e106-425b-b1a1-5fd3371a864f | mp-1072988 | Move atoms at indices [4, 1, 6, 19, 15] by [0.854 3.329 0.863] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg8Si12
_chemical_formula_sum "Mg8 Si12"
_cell_length_a 6.07136022
_cell_length_b 6.07136022
_cell_length_c 15.70600415
_cell_angle_alpha 82.26827983
_cell_angle_beta 82.26827983
_cell_angle_gamma 40.134289769999995
_space_group_na... | data_image0
_chemical_formula_structural Mg8Si12
_chemical_formula_sum "Mg8 Si12"
_cell_length_a 6.07136022
_cell_length_b 6.07136022
_cell_length_c 15.70600415
_cell_angle_alpha 82.26827983
_cell_angle_beta 82.26827983
_cell_angle_gamma 40.134289769999995
_space_group_na... |
MoveSelectedAtomsAction | 7705a8a9-c275-4b0b-8a08-92d3df059154 | mp-1095411 | Move atoms at indices [5, 3, 0, 4] by [ 0.289 1.14 -0.481] angstrom in the cif file. | data_image0
_chemical_formula_structural EuIn2Ge4Ir4
_chemical_formula_sum "Eu1 In2 Ge4 Ir4"
_cell_length_a 6.63908276
_cell_length_b 6.63908276
_cell_length_c 6.63908276
_cell_angle_alpha 116.23124229
_cell_angle_beta 116.23124229
_cell_angle_gamma 96.66187853999999
_spa... | data_image0
_chemical_formula_structural EuIn2Ge4Ir4
_chemical_formula_sum "Eu1 In2 Ge4 Ir4"
_cell_length_a 6.63908276
_cell_length_b 6.63908276
_cell_length_c 6.63908276
_cell_angle_alpha 116.23124229
_cell_angle_beta 116.23124229
_cell_angle_gamma 96.66187853999999
_spa... |
MoveSelectedAtomsAction | 56b2be49-aaa6-4c41-b6d5-daed5e42ddb2 | mp-28684 | Move atoms at indices [37, 91, 86, 58, 66, 21, 54, 78, 43, 6, 8, 65, 33, 61, 67, 0, 53, 75, 29, 52, 23, 76, 39, 82, 79, 98, 28, 3, 73, 64, 36, 1, 50, 88, 96, 19, 81, 84, 51, 89, 35, 97, 70, 42, 44, 5, 80, 49, 74, 38, 24, 20, 95, 12, 7, 71, 83, 13, 69, 40, 55, 4, 17, 87, 32] by [-0.019 3.016 -1.974] angstrom in the cif... | data_image0
_chemical_formula_structural Sb14Se16F70
_chemical_formula_sum "Sb14 Se16 F70"
_cell_length_a 13.914392
_cell_length_b 11.419592
_cell_length_c 15.91966876
_cell_angle_alpha 47.748210029999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sb14Se16F70
_chemical_formula_sum "Sb14 Se16 F70"
_cell_length_a 13.914392
_cell_length_b 11.419592
_cell_length_c 15.91966876
_cell_angle_alpha 47.748210029999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveSelectedAtomsAction | deb42b2f-0919-4c21-a819-6c2dcff129af | mp-1208667 | Move atoms at indices [11, 7, 5, 4, 9, 1, 2, 13, 8, 10] by [ 0.762 1.952 -2.413] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2C4O10
_chemical_formula_sum "Sr2 C4 O10"
_cell_length_a 6.4825783
_cell_length_b 6.482578300000001
_cell_length_c 6.55297993
_cell_angle_alpha 75.39235516
_cell_angle_beta 75.39235516
_cell_angle_gamma 72.68142132
_space_group_n... | data_image0
_chemical_formula_structural Sr2C4O10
_chemical_formula_sum "Sr2 C4 O10"
_cell_length_a 6.4825783
_cell_length_b 6.482578300000001
_cell_length_c 6.55297993
_cell_angle_alpha 75.39235516
_cell_angle_beta 75.39235516
_cell_angle_gamma 72.68142132
_space_group_n... |
MoveSelectedAtomsAction | 0b86b4ed-3690-43fc-bb0c-f469fb0a9812 | mp-1080794 | Move atoms at indices [1, 5, 3, 0, 6, 8] by [-0.261 -2.113 -0.126] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb2P2Ru4C2
_chemical_formula_sum "Tb2 P2 Ru4 C2"
_cell_length_a 5.83282683
_cell_length_b 5.83282683
_cell_length_c 7.078588
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 141.93686356000003
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Tb2P2Ru4C2
_chemical_formula_sum "Tb2 P2 Ru4 C2"
_cell_length_a 5.83282683
_cell_length_b 5.83282683
_cell_length_c 7.078588
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 141.93686356000003
_space_group_name_H-M_al... |
MoveSelectedAtomsAction | 1f037979-ea4a-492f-8125-0b6f105a6b98 | mp-2713621 | Move atoms at indices [50, 47, 28, 27, 41, 12, 9, 10, 20, 56, 13, 78, 61, 43, 31, 54, 58, 14, 63, 0, 71, 53, 11, 32, 15, 75, 5, 45, 65, 35, 68, 51, 44, 64, 74, 1, 60, 8, 29, 24, 67, 2, 6, 17, 3, 57, 62, 76, 59, 36, 30, 72, 52, 38, 40, 19, 7, 48, 34, 4, 69, 70, 42, 55, 23, 46, 26, 66, 18] by [-1.929 2.556 0.821] angst... | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O48
_chemical_formula_sum "Na12 Zr4 Ti4 Si8 P4 O48"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma 90.... | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O48
_chemical_formula_sum "Na12 Zr4 Ti4 Si8 P4 O48"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma 90.... |
MoveSelectedAtomsAction | c3fc666d-3f46-46f1-9c77-a6066bb80c2a | mp-1028643 | Move atoms at indices [8, 3, 1, 0] by [-0.993 1.982 3.543] angstrom in the cif file. | data_image0
_chemical_formula_structural Te6Mo2W2S2
_chemical_formula_sum "Te6 Mo2 W2 S2"
_cell_length_a 3.45920571
_cell_length_b 3.45920571
_cell_length_c 37.26117417
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000709999999
_space_group_name_H-M... | data_image0
_chemical_formula_structural Te6Mo2W2S2
_chemical_formula_sum "Te6 Mo2 W2 S2"
_cell_length_a 3.45920571
_cell_length_b 3.45920571
_cell_length_c 37.26117417
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000709999999
_space_group_name_H-M... |
MoveSelectedAtomsAction | 4f8f637b-46f1-43bf-9c91-41b978b8e70a | mp-1196543 | Move atoms at indices [16, 33, 42, 41, 9, 2, 4, 24, 30, 21, 25, 12, 46, 31, 37, 48, 40, 6, 38, 7, 34, 44, 39] by [0.716 2.392 4.195] angstrom in the cif file. | data_image0
_chemical_formula_structural Ga40Mo8C
_chemical_formula_sum "Ga40 Mo8 C1"
_cell_length_a 9.5569173
_cell_length_b 9.5569173
_cell_length_c 9.55691725
_cell_angle_alpha 94.10402885
_cell_angle_beta 94.10402885
_cell_angle_gamma 94.10402928
_space_group_name_H-M... | data_image0
_chemical_formula_structural Ga40Mo8C
_chemical_formula_sum "Ga40 Mo8 C1"
_cell_length_a 9.5569173
_cell_length_b 9.5569173
_cell_length_c 9.55691725
_cell_angle_alpha 94.10402885
_cell_angle_beta 94.10402885
_cell_angle_gamma 94.10402928
_space_group_name_H-M... |
MoveSelectedAtomsAction | 3e9094ee-a257-4b22-962e-f8a7304a9b00 | mp-29393 | Move atoms at indices [3, 18, 9, 16, 12, 15, 17, 2, 8, 11] by [ 1.721 -3.609 2.333] angstrom in the cif file. | data_image0
_chemical_formula_structural U2Nb4O14
_chemical_formula_sum "U2 Nb4 O14"
_cell_length_a 10.81807734
_cell_length_b 10.81807734
_cell_length_c 6.543083
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 159.67399374
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural U2Nb4O14
_chemical_formula_sum "U2 Nb4 O14"
_cell_length_a 10.81807734
_cell_length_b 10.81807734
_cell_length_c 6.543083
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 159.67399374
_space_group_name_H-M_alt "P 1... |
MoveSelectedAtomsAction | 9b1afbed-5c2a-45f3-83df-6b086cc2b294 | mp-758894 | Move atoms at indices [4, 22, 13, 12, 15, 17, 2, 31, 10, 1] by [-0.834 -1.179 -0.453] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Ti2Te6O24
_chemical_formula_sum "Li4 Ti2 Te6 O24"
_cell_length_a 8.520907
_cell_length_b 7.079706
_cell_length_c 7.29606655
_cell_angle_alpha 87.35303227000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Li4Ti2Te6O24
_chemical_formula_sum "Li4 Ti2 Te6 O24"
_cell_length_a 8.520907
_cell_length_b 7.079706
_cell_length_c 7.29606655
_cell_angle_alpha 87.35303227000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
MoveSelectedAtomsAction | 6b7cd379-66a5-4a81-b7be-f21882e843ac | mp-1212483 | Move atoms at indices [47, 13, 24, 41, 29, 15, 43, 28, 37, 49, 5, 11, 39, 54, 3, 19, 1, 25, 20, 50, 35, 21, 0, 6, 26, 55, 22, 44, 27, 23, 32, 2] by [ 0.951 -1.818 -0.215] angstrom in the cif file. | data_image0
_chemical_formula_structural Hg16P4H4N4O28
_chemical_formula_sum "Hg16 P4 H4 N4 O28"
_cell_length_a 6.12443421
_cell_length_b 8.318202
_cell_length_c 19.35441814
_cell_angle_alpha 90.0
_cell_angle_beta 91.12338898
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Hg16P4H4N4O28
_chemical_formula_sum "Hg16 P4 H4 N4 O28"
_cell_length_a 6.12443421
_cell_length_b 8.318202
_cell_length_c 19.35441814
_cell_angle_alpha 90.0
_cell_angle_beta 91.12338898
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
MoveSelectedAtomsAction | c8096271-2aa5-4465-a214-304d730e1064 | mp-1516307 | Move atoms at indices [5, 6, 7, 2, 1, 8] by [-0.743 -1.696 -0.364] angstrom in the cif file. | data_image0
_chemical_formula_structural KLaDyFeO6
_chemical_formula_sum "K1 La1 Dy1 Fe1 O6"
_cell_length_a 5.73485535
_cell_length_b 5.73485535
_cell_length_c 5.734855349999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9... | data_image0
_chemical_formula_structural KLaDyFeO6
_chemical_formula_sum "K1 La1 Dy1 Fe1 O6"
_cell_length_a 5.73485535
_cell_length_b 5.73485535
_cell_length_c 5.734855349999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9... |
MoveSelectedAtomsAction | 71ebf5e9-4124-4b80-b2e4-1e42f91c6f23 | mp-1201281 | Move atoms at indices [35, 18, 15, 17, 39, 10, 27, 2, 31, 23, 8, 9, 38, 12, 24, 36, 16, 14] by [-2.059 2.337 0.328] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs4Np4Mo4O28
_chemical_formula_sum "Cs4 Np4 Mo4 O28"
_cell_length_a 8.198976
_cell_length_b 9.448569
_cell_length_c 10.543912
_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 Cs4Np4Mo4O28
_chemical_formula_sum "Cs4 Np4 Mo4 O28"
_cell_length_a 8.198976
_cell_length_b 9.448569
_cell_length_c 10.543912
_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 | d906dece-4b0d-4110-9d25-334af44a13e0 | mp-1075627 | Move atoms at indices [4, 14, 22, 18, 6, 12, 19, 8, 27, 23, 7, 5, 1, 24, 10, 21] by [-3.899 0.219 -3.009] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg10Si18
_chemical_formula_sum "Mg10 Si18"
_cell_length_a 6.95179
_cell_length_b 7.0860226
_cell_length_c 12.60241938
_cell_angle_alpha 76.53564366000002
_cell_angle_beta 82.94999404
_cell_angle_gamma 62.96007212000001
_space_group... | data_image0
_chemical_formula_structural Mg10Si18
_chemical_formula_sum "Mg10 Si18"
_cell_length_a 6.95179
_cell_length_b 7.0860226
_cell_length_c 12.60241938
_cell_angle_alpha 76.53564366000002
_cell_angle_beta 82.94999404
_cell_angle_gamma 62.96007212000001
_space_group... |
MoveSelectedAtomsAction | ce75a73d-af06-4297-a569-9bf9557f9128 | mp-1105354 | Move atoms at indices [8, 14, 15, 9, 11] by [ 0.73 0.893 -1.45 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Fe2Cu2S2O6
_chemical_formula_sum "Ca4 Fe2 Cu2 S2 O6"
_cell_length_a 3.87717203
_cell_length_b 3.87472426
_cell_length_c 14.90745591
_cell_angle_alpha 90.03974904
_cell_angle_beta 90.00472766
_cell_angle_gamma 89.98749329
_space_... | data_image0
_chemical_formula_structural Ca4Fe2Cu2S2O6
_chemical_formula_sum "Ca4 Fe2 Cu2 S2 O6"
_cell_length_a 3.87717203
_cell_length_b 3.87472426
_cell_length_c 14.90745591
_cell_angle_alpha 90.03974904
_cell_angle_beta 90.00472766
_cell_angle_gamma 89.98749329
_space_... |
MoveSelectedAtomsAction | bb29063e-2006-4242-87dc-618f3edcfe7c | mp-1228475 | Move atoms at indices [41, 29] by [-1.378 0.671 0.489] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba10Mn2Co8O28
_chemical_formula_sum "Ba10 Mn2 Co8 O28"
_cell_length_a 5.789929
_cell_length_b 10.016607
_cell_length_c 12.0896831
_cell_angle_alpha 89.94737559
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba10Mn2Co8O28
_chemical_formula_sum "Ba10 Mn2 Co8 O28"
_cell_length_a 5.789929
_cell_length_b 10.016607
_cell_length_c 12.0896831
_cell_angle_alpha 89.94737559
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 15d2b1ea-64cd-4d05-be1c-6902c5877d2b | mp-1401213 | Move atoms at indices [2, 8] by [-3.116 1.126 0.321] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg2Ti4O8
_chemical_formula_sum "Mg2 Ti4 O8"
_cell_length_a 7.6351781
_cell_length_b 7.6351781
_cell_length_c 9.63444063
_cell_angle_alpha 51.23972896
_cell_angle_beta 51.23972896
_cell_angle_gamma 21.98626025999998
_space_group_nam... | data_image0
_chemical_formula_structural Mg2Ti4O8
_chemical_formula_sum "Mg2 Ti4 O8"
_cell_length_a 7.6351781
_cell_length_b 7.6351781
_cell_length_c 9.63444063
_cell_angle_alpha 51.23972896
_cell_angle_beta 51.23972896
_cell_angle_gamma 21.98626025999998
_space_group_nam... |
MoveSelectedAtomsAction | 94bb042d-5608-4235-9126-634f64d2f681 | mp-1176457 | Move atoms at indices [16, 4, 2, 7, 1, 15, 17, 3] by [ 3.105 -1.056 1.017] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn6O2F10
_chemical_formula_sum "Mn6 O2 F10"
_cell_length_a 5.858324
_cell_length_b 5.89193293
_cell_length_c 7.57491206
_cell_angle_alpha 73.75590791
_cell_angle_beta 73.47966378
_cell_angle_gamma 71.89549521
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Mn6O2F10
_chemical_formula_sum "Mn6 O2 F10"
_cell_length_a 5.858324
_cell_length_b 5.89193293
_cell_length_c 7.57491206
_cell_angle_alpha 73.75590791
_cell_angle_beta 73.47966378
_cell_angle_gamma 71.89549521
_space_group_name_H-M_... |
MoveSelectedAtomsAction | 417929f8-eebc-4c13-bf28-98d0cbd56837 | mp-30012 | Move atoms at indices [15, 23, 16, 7, 19, 8, 0, 27, 11, 18, 3, 31, 13, 25, 24, 2, 34, 21, 6, 17] by [-2.086 -0.183 3.135] angstrom in the cif file. | data_image0
_chemical_formula_structural Bi4Kr4F28
_chemical_formula_sum "Bi4 Kr4 F28"
_cell_length_a 10.59321774
_cell_length_b 5.29125236
_cell_length_c 11.01870519
_cell_angle_alpha 84.47635688
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Bi4Kr4F28
_chemical_formula_sum "Bi4 Kr4 F28"
_cell_length_a 10.59321774
_cell_length_b 5.29125236
_cell_length_c 11.01870519
_cell_angle_alpha 84.47635688
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | 21a9db15-8882-4a39-9fa6-8e63919aba7d | mp-758646 | Move atoms at indices [9, 4, 8, 2, 19, 0, 26, 5, 12, 13, 21, 17, 23, 10, 24, 16, 6, 15, 20, 3, 14, 1, 22, 18] by [-1.185 0.5 3.986] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V4F20
_chemical_formula_sum "Li4 V4 F20"
_cell_length_a 5.9939823
_cell_length_b 5.993982300000001
_cell_length_c 10.877277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 98.87053668
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li4V4F20
_chemical_formula_sum "Li4 V4 F20"
_cell_length_a 5.9939823
_cell_length_b 5.993982300000001
_cell_length_c 10.877277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 98.87053668
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 98bd3999-322c-460a-b992-ee1f915956ba | mp-1239191 | Move atoms at indices [21, 11, 14, 20, 15, 5, 23, 2, 10, 26] by [ 2.521 0.503 -1.51 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs4Cr8S16
_chemical_formula_sum "Cs4 Cr8 S16"
_cell_length_a 3.594919
_cell_length_b 12.069073
_cell_length_c 13.287917
_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 Cs4Cr8S16
_chemical_formula_sum "Cs4 Cr8 S16"
_cell_length_a 3.594919
_cell_length_b 12.069073
_cell_length_c 13.287917
_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 | 883b6e71-88c4-4b1c-98ce-fc1514274c2f | mp-850401 | Move atoms at indices [10, 17, 0, 23, 11, 5, 22, 26, 16, 4, 18, 8, 25, 7, 24] by [-4.672 -1.745 -2.187] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Fe4O4F12
_chemical_formula_sum "Li8 Fe4 O4 F12"
_cell_length_a 5.964115
_cell_length_b 5.964249000000001
_cell_length_c 8.58639
_cell_angle_alpha 90.00007179
_cell_angle_beta 89.99975499999998
_cell_angle_gamma 89.99676256
_spac... | data_image0
_chemical_formula_structural Li8Fe4O4F12
_chemical_formula_sum "Li8 Fe4 O4 F12"
_cell_length_a 5.964115
_cell_length_b 5.964249000000001
_cell_length_c 8.58639
_cell_angle_alpha 90.00007179
_cell_angle_beta 89.99975499999998
_cell_angle_gamma 89.99676256
_spac... |
MoveSelectedAtomsAction | d518313d-6f03-45f3-ba17-f756c414aa88 | mp-1029771 | Move atoms at indices [16, 4, 8, 0, 13, 3, 9, 2, 6, 14, 20, 17, 1, 22, 11, 21, 12, 7, 10, 15, 23, 18, 19] by [ 1.13 -0.543 4.082] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca8Re4N12
_chemical_formula_sum "Ca8 Re4 N12"
_cell_length_a 6.06534937
_cell_length_b 10.75755626
_cell_length_c 12.34777212
_cell_angle_alpha 89.98624235
_cell_angle_beta 89.98780477000001
_cell_angle_gamma 27.525234260000015
_sp... | data_image0
_chemical_formula_structural Ca8Re4N12
_chemical_formula_sum "Ca8 Re4 N12"
_cell_length_a 6.06534937
_cell_length_b 10.75755626
_cell_length_c 12.34777212
_cell_angle_alpha 89.98624235
_cell_angle_beta 89.98780477000001
_cell_angle_gamma 27.525234260000015
_sp... |
MoveSelectedAtomsAction | 0e39d1ab-a9f2-4c61-b48e-dd86b15baf17 | mp-763174 | Move atoms at indices [13, 19, 3, 15, 14, 0, 20, 2, 5, 23] by [ 0.067 -1.312 -1.378] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8V4O8F4
_chemical_formula_sum "Li8 V4 O8 F4"
_cell_length_a 6.0236089
_cell_length_b 6.023608899999999
_cell_length_c 8.98532133
_cell_angle_alpha 59.9489622
_cell_angle_beta 59.9489622
_cell_angle_gamma 59.827165259999994
_space... | data_image0
_chemical_formula_structural Li8V4O8F4
_chemical_formula_sum "Li8 V4 O8 F4"
_cell_length_a 6.0236089
_cell_length_b 6.023608899999999
_cell_length_c 8.98532133
_cell_angle_alpha 59.9489622
_cell_angle_beta 59.9489622
_cell_angle_gamma 59.827165259999994
_space... |
MoveSelectedAtomsAction | 76226a82-08d5-474b-b7b5-3774b3f66b42 | mp-1175453 | Move atoms at indices [30, 20, 1, 18, 3, 21, 17, 7, 27, 23, 10, 24, 14, 5] by [ 0.089 -3.182 -0.123] angstrom in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.083666
_cell_length_b 5.89114957
_cell_length_c 10.09419816
_cell_angle_alpha 88.84453634999998
_cell_angle_beta 99.76659610999998
_cell_angle_gamma 107.65282792
... | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.083666
_cell_length_b 5.89114957
_cell_length_c 10.09419816
_cell_angle_alpha 88.84453634999998
_cell_angle_beta 99.76659610999998
_cell_angle_gamma 107.65282792
... |
MoveSelectedAtomsAction | 53e6740b-b469-40b5-8f4a-d087a6d2f12e | mp-1194096 | Move atoms at indices [5, 0, 11, 32, 54, 36, 6, 16, 34, 39, 55, 18, 31, 15, 17, 53, 47, 10, 13, 20, 3, 2, 45, 48, 1, 4, 12, 8, 26, 41, 29, 21, 33, 57, 25, 58, 50, 46, 51, 27, 19, 28, 22, 43, 52, 56, 49, 38, 9, 44, 7] by [-4.392 0.788 -2.349] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr8Ni4Se12O36
_chemical_formula_sum "Sr8 Ni4 Se12 O36"
_cell_length_a 7.4440848
_cell_length_b 10.350755760000002
_cell_length_c 12.988963870000001
_cell_angle_alpha 82.00291873
_cell_angle_beta 97.24416022
_cell_angle_gamma 107.365... | data_image0
_chemical_formula_structural Sr8Ni4Se12O36
_chemical_formula_sum "Sr8 Ni4 Se12 O36"
_cell_length_a 7.4440848
_cell_length_b 10.350755760000002
_cell_length_c 12.988963870000001
_cell_angle_alpha 82.00291873
_cell_angle_beta 97.24416022
_cell_angle_gamma 107.365... |
MoveSelectedAtomsAction | 52eed7cf-bb9c-4910-9042-6b7dbe982443 | mp-23013 | Move atoms at indices [17, 0, 8, 3, 15, 13, 10, 4, 12] by [-0.558 1.423 1.439] 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 | 151c7678-fe69-432d-a398-b0d505eb8c93 | mp-1198616 | Move atoms at indices [27, 39, 11, 12, 51, 21, 14, 26, 38, 41, 13, 28, 17, 16, 33, 6, 9, 54] by [ 0.76 1.259 -4.025] angstrom in the cif file. | data_image0
_chemical_formula_structural Na4In4B4P8H4O36
_chemical_formula_sum "Na4 In4 B4 P8 H4 O36"
_cell_length_a 5.17658486
_cell_length_b 16.79093092
_cell_length_c 8.95999236
_cell_angle_alpha 90.0
_cell_angle_beta 121.13523207000001
_cell_angle_gamma 90.0
_space_gr... | data_image0
_chemical_formula_structural Na4In4B4P8H4O36
_chemical_formula_sum "Na4 In4 B4 P8 H4 O36"
_cell_length_a 5.17658486
_cell_length_b 16.79093092
_cell_length_c 8.95999236
_cell_angle_alpha 90.0
_cell_angle_beta 121.13523207000001
_cell_angle_gamma 90.0
_space_gr... |
MoveSelectedAtomsAction | a1a43c24-f5b4-41f7-b356-2b36e9ce1ba3 | mp-980108 | Move atoms at indices [17, 1, 6, 10, 16, 8, 13, 12, 18, 5] by [ 0.64 -1.106 1.069] angstrom in the cif file. | data_image0
_chemical_formula_structural Sm4Mg2Ir2O12
_chemical_formula_sum "Sm4 Mg2 Ir2 O12"
_cell_length_a 5.760194
_cell_length_b 5.428014
_cell_length_c 9.48535488
_cell_angle_alpha 55.3260366
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Sm4Mg2Ir2O12
_chemical_formula_sum "Sm4 Mg2 Ir2 O12"
_cell_length_a 5.760194
_cell_length_b 5.428014
_cell_length_c 9.48535488
_cell_angle_alpha 55.3260366
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | 0d2126de-66e6-4ef9-a85e-eba7a19bc8bf | mp-1217947 | Move atoms at indices [39, 16, 23, 32, 5, 1, 35, 8, 3, 12, 29, 38, 26, 0, 19, 24, 7, 10, 25] by [2.545 0.862 2.875] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta4Nb4Ag8O24
_chemical_formula_sum "Ta4 Nb4 Ag8 O24"
_cell_length_a 5.614271
_cell_length_b 5.686728
_cell_length_c 15.851884
_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 Ta4Nb4Ag8O24
_chemical_formula_sum "Ta4 Nb4 Ag8 O24"
_cell_length_a 5.614271
_cell_length_b 5.686728
_cell_length_c 15.851884
_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 | 02d98741-b64f-4e58-9771-812975559037 | mp-697807 | Move atoms at indices [41, 61, 39, 16, 1, 31, 8, 18, 12, 14, 43, 54, 7, 20, 5, 51, 44, 63, 11, 50, 53, 3, 49, 24, 35, 21, 66, 19, 23, 48, 46, 22, 15, 45, 38, 17] by [ 0.805 1.523 -0.846] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Mn8P14O48
_chemical_formula_sum "Li2 Mn8 P14 O48"
_cell_length_a 10.312902
_cell_length_b 10.477423819999998
_cell_length_c 10.77161187
_cell_angle_alpha 109.86704881
_cell_angle_beta 111.33068254999999
_cell_angle_gamma 105.6353... | data_image0
_chemical_formula_structural Li2Mn8P14O48
_chemical_formula_sum "Li2 Mn8 P14 O48"
_cell_length_a 10.312902
_cell_length_b 10.477423819999998
_cell_length_c 10.77161187
_cell_angle_alpha 109.86704881
_cell_angle_beta 111.33068254999999
_cell_angle_gamma 105.6353... |
MoveSelectedAtomsAction | 7d6cc24f-a098-47b5-a5a1-c92e55ca4478 | mp-755699 | Move atoms at indices [0, 3, 4, 6, 1] by [-3.513 -0.052 -3.1 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4CrCu3O8
_chemical_formula_sum "Li4 Cr1 Cu3 O8"
_cell_length_a 10.14217904
_cell_length_b 10.14144136
_cell_length_c 14.33816371
_cell_angle_alpha 19.50460015000001
_cell_angle_beta 19.503536469999972
_cell_angle_gamma 33.61800237... | data_image0
_chemical_formula_structural Li4CrCu3O8
_chemical_formula_sum "Li4 Cr1 Cu3 O8"
_cell_length_a 10.14217904
_cell_length_b 10.14144136
_cell_length_c 14.33816371
_cell_angle_alpha 19.50460015000001
_cell_angle_beta 19.503536469999972
_cell_angle_gamma 33.61800237... |
MoveSelectedAtomsAction | 537e02da-abc1-457f-b632-18322562ec3f | mp-625941 | Move atoms at indices [2, 5, 8, 9] by [-1.56 -1.206 -0.635] angstrom in the cif file. | data_image0
_chemical_formula_structural TeH6O6
_chemical_formula_sum "Te1 H6 O6"
_cell_length_a 5.91528034
_cell_length_b 5.790779660000001
_cell_length_c 5.37207892
_cell_angle_alpha 63.869127299999995
_cell_angle_beta 61.509273349999994
_cell_angle_gamma 54.621599350000... | data_image0
_chemical_formula_structural TeH6O6
_chemical_formula_sum "Te1 H6 O6"
_cell_length_a 5.91528034
_cell_length_b 5.790779660000001
_cell_length_c 5.37207892
_cell_angle_alpha 63.869127299999995
_cell_angle_beta 61.509273349999994
_cell_angle_gamma 54.621599350000... |
MoveSelectedAtomsAction | 5ed4b457-eb11-4432-bfee-170867163e29 | mp-1179245 | Move atoms at indices [8, 22, 15, 34, 12, 1, 31, 17, 37, 30, 35, 25, 11, 5, 28, 20, 6, 3, 0, 27, 36, 32, 29, 21, 26, 24, 18, 9] by [-2.637 0.812 -0.077] 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 | 7a2bd88e-2dc8-47a9-86f5-6b72c6064f66 | mp-1114234 | Move atoms at indices [7, 9, 5, 6, 8, 0, 4] by [-0.892 3.231 -1.408] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2LiRhF6
_chemical_formula_sum "Na2 Li1 Rh1 F6"
_cell_length_a 5.63395672
_cell_length_b 5.63395672
_cell_length_c 5.63395672
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Na2LiRhF6
_chemical_formula_sum "Na2 Li1 Rh1 F6"
_cell_length_a 5.63395672
_cell_length_b 5.63395672
_cell_length_c 5.63395672
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... |
MoveSelectedAtomsAction | 1b9256b9-4385-44e2-bd0e-e54825bfb41a | mp-766386 | Move atoms at indices [7, 41, 9, 3, 43, 37, 1, 15, 6, 10, 24, 11, 36, 34] by [ 0.691 -1.407 -1.672] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn6Fe2P8O32
_chemical_formula_sum "Mn6 Fe2 P8 O32"
_cell_length_a 11.53339526
_cell_length_b 11.533395260000002
_cell_length_c 4.92890101
_cell_angle_alpha 89.99746044999999
_cell_angle_beta 89.99746044999999
_cell_angle_gamma 62.83... | data_image0
_chemical_formula_structural Mn6Fe2P8O32
_chemical_formula_sum "Mn6 Fe2 P8 O32"
_cell_length_a 11.53339526
_cell_length_b 11.533395260000002
_cell_length_c 4.92890101
_cell_angle_alpha 89.99746044999999
_cell_angle_beta 89.99746044999999
_cell_angle_gamma 62.83... |
MoveSelectedAtomsAction | 2a2d842e-f995-4292-9250-b45fe824ab2c | mp-757196 | Move atoms at indices [20, 2, 12, 5, 15, 7, 21, 16, 10, 6, 14, 11] by [2.458 0.297 0.949] angstrom in the cif file. | data_image0
_chemical_formula_structural Hg4W4O14
_chemical_formula_sum "Hg4 W4 O14"
_cell_length_a 5.314241
_cell_length_b 8.55690931
_cell_length_c 9.0940042
_cell_angle_alpha 105.56429948000002
_cell_angle_beta 105.92332113
_cell_angle_gamma 97.42922239
_space_group_na... | data_image0
_chemical_formula_structural Hg4W4O14
_chemical_formula_sum "Hg4 W4 O14"
_cell_length_a 5.314241
_cell_length_b 8.55690931
_cell_length_c 9.0940042
_cell_angle_alpha 105.56429948000002
_cell_angle_beta 105.92332113
_cell_angle_gamma 97.42922239
_space_group_na... |
MoveSelectedAtomsAction | cd4f3647-925e-424c-99d6-398fafadf0db | mp-768505 | Move atoms at indices [1, 8, 15, 2, 0, 21, 11] by [ 0.76 0.279 -2.554] angstrom in the cif file. | data_image0
_chemical_formula_structural Lu6Ga6O18
_chemical_formula_sum "Lu6 Ga6 O18"
_cell_length_a 5.90261744
_cell_length_b 5.90261585
_cell_length_c 11.574137249999998
_cell_angle_alpha 89.99999338
_cell_angle_beta 89.99995016
_cell_angle_gamma 119.99938731
_space_gr... | data_image0
_chemical_formula_structural Lu6Ga6O18
_chemical_formula_sum "Lu6 Ga6 O18"
_cell_length_a 5.90261744
_cell_length_b 5.90261585
_cell_length_c 11.574137249999998
_cell_angle_alpha 89.99999338
_cell_angle_beta 89.99995016
_cell_angle_gamma 119.99938731
_space_gr... |
MoveSelectedAtomsAction | fdaf1a55-ce9b-40e6-afc7-7ec1224dc604 | mp-1208355 | Move atoms at indices [9, 13] by [-2.788 -1.364 1.163] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb4As4O8
_chemical_formula_sum "Tb4 As4 O8"
_cell_length_a 7.00963605
_cell_length_b 7.00963605
_cell_length_c 7.009636050000001
_cell_angle_alpha 109.77864946
_cell_angle_beta 109.77864946
_cell_angle_gamma 108.85809727
_space_gro... | data_image0
_chemical_formula_structural Tb4As4O8
_chemical_formula_sum "Tb4 As4 O8"
_cell_length_a 7.00963605
_cell_length_b 7.00963605
_cell_length_c 7.009636050000001
_cell_angle_alpha 109.77864946
_cell_angle_beta 109.77864946
_cell_angle_gamma 108.85809727
_space_gro... |
MoveSelectedAtomsAction | 986eb5a9-25fe-47ee-bfda-1b225af5aabf | mp-978989 | Move atoms at indices [14, 7, 16, 5, 19, 15, 17, 6, 2, 8, 13, 18, 4, 9] by [-1.394 0.645 -1.346] angstrom in the cif file. | data_image0
_chemical_formula_structural Tc14B6
_chemical_formula_sum "Tc14 B6"
_cell_length_a 7.46654839
_cell_length_b 7.4665463800000005
_cell_length_c 4.82992795
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99981629
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Tc14B6
_chemical_formula_sum "Tc14 B6"
_cell_length_a 7.46654839
_cell_length_b 7.4665463800000005
_cell_length_c 4.82992795
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99981629
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | 7e842a67-eeaf-4e18-b36d-834efe95cf29 | mp-1079634 | Move atoms at indices [2, 3, 9, 6, 4, 0, 7, 1, 8, 5] by [-1.864 -2.023 -0.555] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb4Sn2Au4
_chemical_formula_sum "Tb4 Sn2 Au4"
_cell_length_a 7.91659809
_cell_length_b 7.916598089999999
_cell_length_c 3.75257681
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.9980375
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Tb4Sn2Au4
_chemical_formula_sum "Tb4 Sn2 Au4"
_cell_length_a 7.91659809
_cell_length_b 7.916598089999999
_cell_length_c 3.75257681
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.9980375
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | c86f32b3-3420-406a-9422-8e6a9718ec0d | mp-1223532 | Move atoms at indices [3, 12, 8, 7, 1, 4, 0, 10, 5, 11, 9, 2, 6] by [-2.852 -2.565 1.663] angstrom in the cif file. | data_image0
_chemical_formula_structural K2La2C2O8
_chemical_formula_sum "K2 La2 C2 O8"
_cell_length_a 3.686097
_cell_length_b 4.760619
_cell_length_c 12.196384
_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 K2La2C2O8
_chemical_formula_sum "K2 La2 C2 O8"
_cell_length_a 3.686097
_cell_length_b 4.760619
_cell_length_c 12.196384
_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 | 92cff9f2-2d40-452f-975a-bb54e9989d8b | mp-1043615 | Move atoms at indices [10, 25, 31, 19, 1, 9, 3, 0, 27, 36, 6, 28, 21, 18, 7, 37, 11, 39, 17, 32, 24, 42] by [-0.809 2.547 0.836] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn6Zn2P8O28
_chemical_formula_sum "Mn6 Zn2 P8 O28"
_cell_length_a 7.541915
_cell_length_b 7.529579
_cell_length_c 9.902182270000003
_cell_angle_alpha 66.5660246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mn6Zn2P8O28
_chemical_formula_sum "Mn6 Zn2 P8 O28"
_cell_length_a 7.541915
_cell_length_b 7.529579
_cell_length_c 9.902182270000003
_cell_angle_alpha 66.5660246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveSelectedAtomsAction | 88a6d758-a86c-42ac-9873-bfb405afdd14 | mp-1206319 | Move atoms at indices [9, 7, 5, 2, 4, 3] by [-3.751 0.265 -2.371] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2Co2Br6
_chemical_formula_sum "Rb2 Co2 Br6"
_cell_length_a 7.42861131
_cell_length_b 7.42750215
_cell_length_c 6.244587669999999
_cell_angle_alpha 89.99999801
_cell_angle_beta 90.00002781999999
_cell_angle_gamma 119.99551734999999... | data_image0
_chemical_formula_structural Rb2Co2Br6
_chemical_formula_sum "Rb2 Co2 Br6"
_cell_length_a 7.42861131
_cell_length_b 7.42750215
_cell_length_c 6.244587669999999
_cell_angle_alpha 89.99999801
_cell_angle_beta 90.00002781999999
_cell_angle_gamma 119.99551734999999... |
MoveSelectedAtomsAction | 4b10209b-48c1-4395-a020-3bc4afd2f9dd | mp-850540 | Move atoms at indices [46, 27, 55, 36, 24, 30, 44, 4, 23, 19, 0, 54, 34, 8, 43, 68, 66, 10, 35, 38, 32, 15, 40, 69, 71, 33, 50, 28, 42, 48, 65, 45, 31, 5, 3, 1, 53, 67, 61, 2, 39, 21, 60, 9, 26, 29, 52, 7, 64, 41, 17, 14, 11, 47, 13, 16, 37, 20, 49, 59, 63, 57, 25, 51, 62] by [ 1.198 1.71 -0.208] angstrom in the cif ... | data_image0
_chemical_formula_structural Zn4Fe8P12O48
_chemical_formula_sum "Zn4 Fe8 P12 O48"
_cell_length_a 5.956416
_cell_length_b 4.893716
_cell_length_c 29.86220092
_cell_angle_alpha 89.98575769
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Zn4Fe8P12O48
_chemical_formula_sum "Zn4 Fe8 P12 O48"
_cell_length_a 5.956416
_cell_length_b 4.893716
_cell_length_c 29.86220092
_cell_angle_alpha 89.98575769
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 750a154b-26f8-4ead-88ec-2f5ff8aeb643 | mp-549058 | Move atoms at indices [13, 1, 5, 10, 14, 0, 17, 11, 6, 7, 16] by [-1.2 -0.674 -1.557] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Fe4Se4O2F4
_chemical_formula_sum "Ba4 Fe4 Se4 O2 F4"
_cell_length_a 4.26583749
_cell_length_b 4.2657151
_cell_length_c 19.946585160000005
_cell_angle_alpha 89.99747917
_cell_angle_beta 89.99713968999998
_cell_angle_gamma 90.00067... | data_image0
_chemical_formula_structural Ba4Fe4Se4O2F4
_chemical_formula_sum "Ba4 Fe4 Se4 O2 F4"
_cell_length_a 4.26583749
_cell_length_b 4.2657151
_cell_length_c 19.946585160000005
_cell_angle_alpha 89.99747917
_cell_angle_beta 89.99713968999998
_cell_angle_gamma 90.00067... |
MoveSelectedAtomsAction | fe2a105f-36d9-441f-89b6-75554a0796db | mp-1192688 | Move atoms at indices [16, 1, 7, 24, 21, 2, 3, 11, 0] by [-1.195 -1.393 -1.453] angstrom in the cif file. | data_image0
_chemical_formula_structural Zn4N24
_chemical_formula_sum "Zn4 N24"
_cell_length_a 3.46225614
_cell_length_b 16.34917739
_cell_length_c 7.37629299
_cell_angle_alpha 90.0
_cell_angle_beta 111.7166702
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Zn4N24
_chemical_formula_sum "Zn4 N24"
_cell_length_a 3.46225614
_cell_length_b 16.34917739
_cell_length_c 7.37629299
_cell_angle_alpha 90.0
_cell_angle_beta 111.7166702
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveSelectedAtomsAction | 7f0932aa-abdf-4480-b506-9ae8629388c3 | mp-1228441 | Move atoms at indices [7, 18, 33, 19, 8, 12, 1] by [-2.362 2.67 3.711] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba7Hg31
_chemical_formula_sum "Ba7 Hg31"
_cell_length_a 10.96998198
_cell_length_b 10.970007279999999
_cell_length_c 10.4440168
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00007175
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba7Hg31
_chemical_formula_sum "Ba7 Hg31"
_cell_length_a 10.96998198
_cell_length_b 10.970007279999999
_cell_length_c 10.4440168
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00007175
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | d4322e01-6fad-43a7-8fab-b4d01f105c49 | mp-6606 | Move atoms at indices [19, 8, 3, 13, 6, 7, 18, 5, 0, 20, 14, 9, 22, 25, 17, 15, 23, 21, 4, 11, 24, 10, 1] by [-6.025 -0.901 -0.43 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2Y2Si8N14
_chemical_formula_sum "Sr2 Y2 Si8 N14"
_cell_length_a 6.06146913
_cell_length_b 6.061469130000001
_cell_length_c 9.888144
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999050999999
_space_group_na... | data_image0
_chemical_formula_structural Sr2Y2Si8N14
_chemical_formula_sum "Sr2 Y2 Si8 N14"
_cell_length_a 6.06146913
_cell_length_b 6.061469130000001
_cell_length_c 9.888144
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999050999999
_space_group_na... |
MoveSelectedAtomsAction | 5113fbd2-da8d-4e4a-a3c7-44cfb198c805 | mp-1229042 | Move atoms at indices [11, 18, 36, 29, 12, 19, 1, 23, 38, 20, 4, 31, 6, 34] by [-3.000e-03 2.090e-01 -4.335e+00] angstrom in the cif file. | data_image0
_chemical_formula_structural Al9Fe2Si4O24
_chemical_formula_sum "Al9 Fe2 Si4 O24"
_cell_length_a 9.27066262
_cell_length_b 9.27066262
_cell_length_c 5.71036493
_cell_angle_alpha 89.69804354
_cell_angle_beta 89.69804354
_cell_angle_gamma 129.63019072
_space_gro... | data_image0
_chemical_formula_structural Al9Fe2Si4O24
_chemical_formula_sum "Al9 Fe2 Si4 O24"
_cell_length_a 9.27066262
_cell_length_b 9.27066262
_cell_length_c 5.71036493
_cell_angle_alpha 89.69804354
_cell_angle_beta 89.69804354
_cell_angle_gamma 129.63019072
_space_gro... |
MoveSelectedAtomsAction | 82c74eac-9d29-47fa-957a-b1f16b13f110 | mp-1220380 | Move atoms at indices [0, 9, 5, 8, 4] by [-2.486 -0.398 -3.377] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd3NiSn7
_chemical_formula_sum "Nd3 Ni1 Sn7"
_cell_length_a 13.90377236
_cell_length_b 13.90377236
_cell_length_c 4.5517161
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 161.25257191
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Nd3NiSn7
_chemical_formula_sum "Nd3 Ni1 Sn7"
_cell_length_a 13.90377236
_cell_length_b 13.90377236
_cell_length_c 4.5517161
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 161.25257191
_space_group_name_H-M_alt "P... |
MoveSelectedAtomsAction | 2e3eb0d8-7807-46ff-ba3a-e2089bf7a7b9 | mp-2713601 | Move atoms at indices [42, 3, 16, 76, 0, 49, 20, 50, 52, 46, 67, 34, 26, 66, 64, 40, 47, 4, 75, 33, 57, 36, 59, 1, 55, 51, 53, 11, 70, 37, 38, 71, 72, 74, 10, 7, 45, 32, 60, 48, 73, 24, 44, 17, 69, 43, 25, 23, 13, 28, 39, 12, 27, 61] by [ 2.8 -4.986 -1.44 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Na12Zr4Si8Sn4P4O48
_chemical_formula_sum "Na12 Zr4 Si8 Sn4 P4 O48"
_cell_length_a 15.80930235
_cell_length_b 9.12113413
_cell_length_c 9.16076048
_cell_angle_alpha 89.95736308
_cell_angle_beta 124.88498987999999
_cell_angle_gamma 90... | data_image0
_chemical_formula_structural Na12Zr4Si8Sn4P4O48
_chemical_formula_sum "Na12 Zr4 Si8 Sn4 P4 O48"
_cell_length_a 15.80930235
_cell_length_b 9.12113413
_cell_length_c 9.16076048
_cell_angle_alpha 89.95736308
_cell_angle_beta 124.88498987999999
_cell_angle_gamma 90... |
MoveSelectedAtomsAction | 0b43f709-f10f-4abd-a1fd-07ea81e36727 | mp-1218286 | Move atoms at indices [16, 8, 10, 14, 0, 19, 15, 7, 5, 4, 13, 12, 3, 1, 18, 6, 2, 9, 11, 17] by [-0.045 1.732 -0.735] angstrom in the cif file. | data_image0
_chemical_formula_structural SrLa3Mn2Cr2O12
_chemical_formula_sum "Sr1 La3 Mn2 Cr2 O12"
_cell_length_a 5.46755873
_cell_length_b 7.985748690000001
_cell_length_c 5.541264629999999
_cell_angle_alpha 90.00051804
_cell_angle_beta 89.99987303999998
_cell_angle_gamma ... | data_image0
_chemical_formula_structural SrLa3Mn2Cr2O12
_chemical_formula_sum "Sr1 La3 Mn2 Cr2 O12"
_cell_length_a 5.46755873
_cell_length_b 7.985748690000001
_cell_length_c 5.541264629999999
_cell_angle_alpha 90.00051804
_cell_angle_beta 89.99987303999998
_cell_angle_gamma ... |
MoveSelectedAtomsAction | abd155be-83ff-4994-8376-4e2635d97c6d | mp-642735 | Move atoms at indices [10, 5, 9, 0, 11, 2, 8, 13, 1, 12, 7, 6, 3, 4] by [-2.261 -2.927 -0.384] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb4H8Pt2
_chemical_formula_sum "Rb4 H8 Pt2"
_cell_length_a 5.8618533
_cell_length_b 5.8618533
_cell_length_c 8.40442138
_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 Rb4H8Pt2
_chemical_formula_sum "Rb4 H8 Pt2"
_cell_length_a 5.8618533
_cell_length_b 5.8618533
_cell_length_c 8.40442138
_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 | a0e8b1df-3f55-4cf7-ba44-3d584a934d6a | mp-1204112 | Move atoms at indices [26, 29, 36, 5, 28, 16, 32, 21, 37, 4, 22, 12, 27, 13, 3, 7, 34, 9, 41, 43, 14, 39, 25, 6, 19, 20, 31, 2, 23, 42, 18, 35, 11, 45, 44, 1, 30, 38, 8, 0, 24, 40] by [ 0.987 -1.3 2.278] angstrom in the cif file. | data_image0
_chemical_formula_structural Sn2H8S12N12Cl12
_chemical_formula_sum "Sn2 H8 S12 N12 Cl12"
_cell_length_a 13.290174
_cell_length_b 7.36416
_cell_length_c 11.930420559999998
_cell_angle_alpha 57.87495880999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... | data_image0
_chemical_formula_structural Sn2H8S12N12Cl12
_chemical_formula_sum "Sn2 H8 S12 N12 Cl12"
_cell_length_a 13.290174
_cell_length_b 7.36416
_cell_length_c 11.930420559999998
_cell_angle_alpha 57.87495880999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... |
MoveSelectedAtomsAction | eb46bcc7-c026-4af7-b5bb-bf2d4340e8a7 | mp-31273 | Move atoms at indices [19, 4, 0, 17, 10, 23, 7, 9, 2, 12, 11, 6, 20, 27, 22, 26, 21] by [ 0.278 3.048 -1.877] angstrom in the cif file. | data_image0
_chemical_formula_structural La8Cu4S16
_chemical_formula_sum "La8 Cu4 S16"
_cell_length_a 7.57804436
_cell_length_b 7.7499303
_cell_length_c 10.90141497
_cell_angle_alpha 75.46525323
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural La8Cu4S16
_chemical_formula_sum "La8 Cu4 S16"
_cell_length_a 7.57804436
_cell_length_b 7.7499303
_cell_length_c 10.90141497
_cell_angle_alpha 75.46525323
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveSelectedAtomsAction | 3ecf6cc5-2235-44c6-a3cb-f9066a237e0b | mp-759173 | Move atoms at indices [3, 1, 6, 9, 7, 10] by [-1.981 1.902 1.545] angstrom in the cif file. | data_image0
_chemical_formula_structural LiV3O8
_chemical_formula_sum "Li1 V3 O8"
_cell_length_a 5.56596741
_cell_length_b 5.56596741
_cell_length_c 5.947745
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999295000002
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural LiV3O8
_chemical_formula_sum "Li1 V3 O8"
_cell_length_a 5.56596741
_cell_length_b 5.56596741
_cell_length_c 5.947745
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999295000002
_space_group_name_H-M_alt "P ... |
MoveSelectedAtomsAction | 40dbd4cd-835d-4fe4-beb1-23dc261efa33 | mp-1521970 | Move atoms at indices [25, 4, 36, 37, 3, 35, 28, 13, 2, 7, 33, 20] by [ 0.198 -0.751 -3.248] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr4Ca4Eu4Bi4O24
_chemical_formula_sum "Sr4 Ca4 Eu4 Bi4 O24"
_cell_length_a 8.54600394
_cell_length_b 8.54462051
_cell_length_c 8.54397561
_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 Sr4Ca4Eu4Bi4O24
_chemical_formula_sum "Sr4 Ca4 Eu4 Bi4 O24"
_cell_length_a 8.54600394
_cell_length_b 8.54462051
_cell_length_c 8.54397561
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveSelectedAtomsAction | 6c217c4b-26a0-402f-a2fa-985495624433 | mp-1239141 | Move atoms at indices [26, 7, 10, 11, 0, 27, 18, 8, 15, 24, 9, 14, 4, 1, 6, 2, 19, 16, 17, 25] by [ 0.123 1.621 -0.44 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta2Cr6Cu4S16
_chemical_formula_sum "Ta2 Cr6 Cu4 S16"
_cell_length_a 12.195021
_cell_length_b 5.74575
_cell_length_c 8.92965446
_cell_angle_alpha 50.87768145
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ta2Cr6Cu4S16
_chemical_formula_sum "Ta2 Cr6 Cu4 S16"
_cell_length_a 12.195021
_cell_length_b 5.74575
_cell_length_c 8.92965446
_cell_angle_alpha 50.87768145
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | d9350af2-8e16-47cf-b98f-2ddb0879ef06 | mp-607917 | Move atoms at indices [32, 29, 35, 9, 12, 36, 22, 5, 1, 14, 8, 31, 43, 46, 41, 33, 27, 11, 47, 3] by [-4.017 -1.589 -0.205] angstrom in the cif file. | data_image0
_chemical_formula_structural La21Fe8Sn7C12
_chemical_formula_sum "La21 Fe8 Sn7 C12"
_cell_length_a 11.6435625
_cell_length_b 11.6435625
_cell_length_c 11.643562499999998
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural La21Fe8Sn7C12
_chemical_formula_sum "La21 Fe8 Sn7 C12"
_cell_length_a 11.6435625
_cell_length_b 11.6435625
_cell_length_c 11.643562499999998
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... |
MoveSelectedAtomsAction | 019d880f-8a1d-45fc-9a59-8929bf058843 | mp-695887 | Move atoms at indices [22, 20, 6, 16, 14, 12, 8, 9, 5, 0, 2, 11, 3, 17, 18, 1, 10, 23] by [ 3.059 -1.763 -5.165] angstrom in the cif file. | data_image0
_chemical_formula_structural K3Cu2P4HO14
_chemical_formula_sum "K3 Cu2 P4 H1 O14"
_cell_length_a 5.26174534
_cell_length_b 5.52086112
_cell_length_c 12.69132558
_cell_angle_alpha 90.60332849
_cell_angle_beta 100.43952077
_cell_angle_gamma 117.17330493999998
_s... | data_image0
_chemical_formula_structural K3Cu2P4HO14
_chemical_formula_sum "K3 Cu2 P4 H1 O14"
_cell_length_a 5.26174534
_cell_length_b 5.52086112
_cell_length_c 12.69132558
_cell_angle_alpha 90.60332849
_cell_angle_beta 100.43952077
_cell_angle_gamma 117.17330493999998
_s... |
MoveSelectedAtomsAction | 4fa4d587-fe36-42ad-bb9a-be7903febb34 | mp-1245505 | Move atoms at indices [8, 11, 7, 2, 6, 0, 1, 9, 5, 4, 10, 3] by [1.556 1.468 0.08 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn4V2N6
_chemical_formula_sum "Mn4 V2 N6"
_cell_length_a 5.86989221
_cell_length_b 6.02094344
_cell_length_c 4.024515
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.85496952
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Mn4V2N6
_chemical_formula_sum "Mn4 V2 N6"
_cell_length_a 5.86989221
_cell_length_b 6.02094344
_cell_length_c 4.024515
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.85496952
_space_group_name_H-M_alt "P 1"
_s... |
MoveSelectedAtomsAction | 870c4a3b-4a92-4ed5-87f1-7f98364fa48d | mp-541094 | Move atoms at indices [14, 2, 9, 23, 7, 8, 38, 11, 37, 4, 20, 6, 0, 24, 26, 15, 10, 13, 36, 16, 32, 19, 12, 33, 28, 39, 21] by [ 1.056 -0.807 1.328] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta4Hg6S2O8F20
_chemical_formula_sum "Ta4 Hg6 S2 O8 F20"
_cell_length_a 12.3091215
_cell_length_b 10.48936124
_cell_length_c 9.306227819999998
_cell_angle_alpha 76.63821534
_cell_angle_beta 56.00576460999999
_cell_angle_gamma 47.3560... | data_image0
_chemical_formula_structural Ta4Hg6S2O8F20
_chemical_formula_sum "Ta4 Hg6 S2 O8 F20"
_cell_length_a 12.3091215
_cell_length_b 10.48936124
_cell_length_c 9.306227819999998
_cell_angle_alpha 76.63821534
_cell_angle_beta 56.00576460999999
_cell_angle_gamma 47.3560... |
MoveSelectedAtomsAction | b52426a7-692e-408b-bbbc-66590d959d4c | mp-1029952 | Move atoms at indices [5, 11, 4, 3, 0, 1] by [2.116 3.674 2.096] angstrom in the cif file. | data_image0
_chemical_formula_structural Te6Mo2W2S2
_chemical_formula_sum "Te6 Mo2 W2 S2"
_cell_length_a 3.46013268
_cell_length_b 3.4601326799999996
_cell_length_c 39.261307
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001304
_space_group_name_H-M... | data_image0
_chemical_formula_structural Te6Mo2W2S2
_chemical_formula_sum "Te6 Mo2 W2 S2"
_cell_length_a 3.46013268
_cell_length_b 3.4601326799999996
_cell_length_c 39.261307
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001304
_space_group_name_H-M... |
MoveSelectedAtomsAction | 814db57a-5dbc-4aff-a33e-0accdf290b62 | mp-1197808 | Move atoms at indices [24, 16, 8, 3, 13, 21, 14, 18, 19] by [-0.213 -2.125 -1.295] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Sn4O24
_chemical_formula_sum "Ca4 Sn4 O24"
_cell_length_a 8.792803
_cell_length_b 8.792803
_cell_length_c 8.792803
_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 Ca4Sn4O24
_chemical_formula_sum "Ca4 Sn4 O24"
_cell_length_a 8.792803
_cell_length_b 8.792803
_cell_length_c 8.792803
_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 | edb86eff-4496-48f5-a455-eb159582a9c0 | mp-1041051 | Move atoms at indices [12, 13, 32, 33, 15, 5, 30] by [-1.479 -1.147 0.673] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca6V12O24
_chemical_formula_sum "Ca6 V12 O24"
_cell_length_a 6.30176056
_cell_length_b 6.30176056
_cell_length_c 15.47552296
_cell_angle_alpha 89.87511083999999
_cell_angle_beta 89.87511083999999
_cell_angle_gamma 59.88871945
_spac... | data_image0
_chemical_formula_structural Ca6V12O24
_chemical_formula_sum "Ca6 V12 O24"
_cell_length_a 6.30176056
_cell_length_b 6.30176056
_cell_length_c 15.47552296
_cell_angle_alpha 89.87511083999999
_cell_angle_beta 89.87511083999999
_cell_angle_gamma 59.88871945
_spac... |
MoveSelectedAtomsAction | e832eb47-38b5-41cc-b3ba-f242a97ecd14 | mp-1204185 | Move atoms at indices [5, 25, 60, 49, 53, 41, 22, 19] by [ 0.484 0.421 -2.972] angstrom in the cif file. | data_image0
_chemical_formula_structural Ag12Te8W6O40
_chemical_formula_sum "Ag12 Te8 W6 O40"
_cell_length_a 15.52412535
_cell_length_b 15.52412535
_cell_length_c 9.71240627
_cell_angle_alpha 88.40717391
_cell_angle_beta 88.40717391
_cell_angle_gamma 25.386584279999997
_s... | data_image0
_chemical_formula_structural Ag12Te8W6O40
_chemical_formula_sum "Ag12 Te8 W6 O40"
_cell_length_a 15.52412535
_cell_length_b 15.52412535
_cell_length_c 9.71240627
_cell_angle_alpha 88.40717391
_cell_angle_beta 88.40717391
_cell_angle_gamma 25.386584279999997
_s... |
MoveSelectedAtomsAction | a7b69bda-0ca6-4cfb-842a-3e21b53d09a9 | mp-560603 | Move atoms at indices [0, 2, 11, 34, 32, 24, 18, 37, 16, 21, 26, 15, 5, 19] by [ 1.625 1.633 -2.881] angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Mg2Si10O24
_chemical_formula_sum "Na4 Mg2 Si10 O24"
_cell_length_a 8.737959
_cell_length_b 5.33376
_cell_length_c 9.34515631
_cell_angle_alpha 75.45457203
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na4Mg2Si10O24
_chemical_formula_sum "Na4 Mg2 Si10 O24"
_cell_length_a 8.737959
_cell_length_b 5.33376
_cell_length_c 9.34515631
_cell_angle_alpha 75.45457203
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
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