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 | 50e9e3a1-c4fc-486b-9caa-de66342e4d40 | mp-557006 | Move atoms at indices [11, 0, 4, 12, 1, 8, 6, 43, 14, 16, 31, 35, 38, 20, 28, 30, 39, 7, 32, 24, 27, 26, 9, 37, 19, 42, 22, 3, 18, 41, 34, 36, 29, 15] by [-0.111 -2.778 -0.144] angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Sb4S4O16F12
_chemical_formula_sum "Na8 Sb4 S4 O16 F12"
_cell_length_a 8.25681579
_cell_length_b 8.25681579
_cell_length_c 11.02966494
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 129.24259993
_space_group_name_... | data_image0
_chemical_formula_structural Na8Sb4S4O16F12
_chemical_formula_sum "Na8 Sb4 S4 O16 F12"
_cell_length_a 8.25681579
_cell_length_b 8.25681579
_cell_length_c 11.02966494
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 129.24259993
_space_group_name_... |
MoveSelectedAtomsAction | baba479d-050d-437d-94ac-556d79d1b9d0 | mp-1246483 | Move atoms at indices [17, 15, 0, 10, 19, 1, 14] by [-0.898 -1.259 -0.576] angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Re2N8
_chemical_formula_sum "Li12 Re2 N8"
_cell_length_a 6.739893
_cell_length_b 6.739893
_cell_length_c 4.877962
_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 Li12Re2N8
_chemical_formula_sum "Li12 Re2 N8"
_cell_length_a 6.739893
_cell_length_b 6.739893
_cell_length_c 4.877962
_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 | a94d02b5-320f-42b3-afdd-731c5619cc54 | mp-1200471 | Move atoms at indices [2, 9, 21, 17, 0, 10, 5, 36, 37] by [-3.098 -3.039 2.024] angstrom in the cif file. | data_image0
_chemical_formula_structural CsV3B2P4H8O22
_chemical_formula_sum "Cs1 V3 B2 P4 H8 O22"
_cell_length_a 10.54751473
_cell_length_b 10.54751473
_cell_length_c 5.1309377199999995
_cell_angle_alpha 80.72800578
_cell_angle_beta 80.72800578
_cell_angle_gamma 125.37907... | data_image0
_chemical_formula_structural CsV3B2P4H8O22
_chemical_formula_sum "Cs1 V3 B2 P4 H8 O22"
_cell_length_a 10.54751473
_cell_length_b 10.54751473
_cell_length_c 5.1309377199999995
_cell_angle_alpha 80.72800578
_cell_angle_beta 80.72800578
_cell_angle_gamma 125.37907... |
MoveSelectedAtomsAction | 18934146-8ed3-484e-9d72-ae36fa0faf2d | mp-504105 | Move atoms at indices [5, 19, 2, 18, 16, 25, 10, 6, 17, 4, 13, 21, 15, 1, 11, 7, 0, 23, 27, 24] by [ 0.061 -0.73 -0.011] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4P4W4O16
_chemical_formula_sum "Li4 P4 W4 O16"
_cell_length_a 4.689516
_cell_length_b 6.124034
_cell_length_c 11.217227
_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 Li4P4W4O16
_chemical_formula_sum "Li4 P4 W4 O16"
_cell_length_a 4.689516
_cell_length_b 6.124034
_cell_length_c 11.217227
_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 | d84c09c1-677f-4496-9858-357d6f70dd51 | mp-1239200 | Move atoms at indices [46, 52, 10, 27, 23, 51, 24, 22, 55, 43, 45, 0, 40, 31, 37, 49, 33, 19, 53, 30, 12, 2, 20, 29, 7, 8, 1, 34, 41] by [ 0.927 -2.048 2.193] angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Cr16S32
_chemical_formula_sum "Na8 Cr16 S32"
_cell_length_a 11.588982
_cell_length_b 7.263585
_cell_length_c 12.057199
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Na8Cr16S32
_chemical_formula_sum "Na8 Cr16 S32"
_cell_length_a 11.588982
_cell_length_b 7.263585
_cell_length_c 12.057199
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
MoveSelectedAtomsAction | a05a8cc6-b7b8-4bed-ad75-27d81c9777df | mp-571622 | Move atoms at indices [8, 9, 4, 1, 10, 5, 11, 0, 12, 3] by [0.875 3.117 1.293] angstrom in the cif file. | data_image0
_chemical_formula_structural Be12Pt
_chemical_formula_sum "Be12 Pt1"
_cell_length_a 5.53737645
_cell_length_b 5.53737645
_cell_length_c 5.537376450000001
_cell_angle_alpha 98.1544715
_cell_angle_beta 98.1544715
_cell_angle_gamma 135.75109005
_space_group_name_... | data_image0
_chemical_formula_structural Be12Pt
_chemical_formula_sum "Be12 Pt1"
_cell_length_a 5.53737645
_cell_length_b 5.53737645
_cell_length_c 5.537376450000001
_cell_angle_alpha 98.1544715
_cell_angle_beta 98.1544715
_cell_angle_gamma 135.75109005
_space_group_name_... |
MoveSelectedAtomsAction | ad17faca-e930-4148-b6f9-4273f5ea7c5a | mp-690490 | Move atoms at indices [17, 1, 0, 9, 15, 3, 2] by [2.003 0.34 1.099] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti4V4O16
_chemical_formula_sum "Ti4 V4 O16"
_cell_length_a 3.003347
_cell_length_b 6.46329963
_cell_length_c 12.9995939
_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 Ti4V4O16
_chemical_formula_sum "Ti4 V4 O16"
_cell_length_a 3.003347
_cell_length_b 6.46329963
_cell_length_c 12.9995939
_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 | 68736806-7302-4905-9876-76b77e6a959d | mp-757606 | Move atoms at indices [14, 8, 24, 11, 15, 6, 17, 3, 7] by [ 2.362 -1.17 1.08 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Ni4P4O16
_chemical_formula_sum "Li4 Ni4 P4 O16"
_cell_length_a 5.49464502
_cell_length_b 6.239611080000001
_cell_length_c 9.28187495
_cell_angle_alpha 105.10267002000002
_cell_angle_beta 80.98396444
_cell_angle_gamma 103.96264312... | data_image0
_chemical_formula_structural Li4Ni4P4O16
_chemical_formula_sum "Li4 Ni4 P4 O16"
_cell_length_a 5.49464502
_cell_length_b 6.239611080000001
_cell_length_c 9.28187495
_cell_angle_alpha 105.10267002000002
_cell_angle_beta 80.98396444
_cell_angle_gamma 103.96264312... |
MoveSelectedAtomsAction | ff9ad0bc-6201-4822-a3cc-101747b1cf68 | mp-3188 | Move atoms at indices [13, 14, 10, 16, 9, 17, 0, 1, 6, 2, 5, 7, 4, 11, 3, 8, 12, 15] by [ 1.361 -1.255 -0.422] angstrom in the cif file. | data_image0
_chemical_formula_structural Zn2Sb4O12
_chemical_formula_sum "Zn2 Sb4 O12"
_cell_length_a 4.6784296
_cell_length_b 4.6784296
_cell_length_c 9.30171104
_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 Zn2Sb4O12
_chemical_formula_sum "Zn2 Sb4 O12"
_cell_length_a 4.6784296
_cell_length_b 4.6784296
_cell_length_c 9.30171104
_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 | d97570ab-8d58-40c2-af6e-1eb8ca35b68d | mp-1096957 | Move atoms at indices [12, 46, 20, 1, 9, 39, 25, 33, 18, 17, 41, 70, 26, 53, 11, 58, 22, 3, 45, 61, 50, 54, 60, 32, 40, 64, 66, 4, 48, 29, 27, 42, 71, 35, 28, 49, 31, 23, 57, 24, 2, 67, 10, 37, 62, 47, 52, 69, 7, 15, 63, 55] by [ 1.202 -0.808 -0.089] 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 | 6ee5bc10-0cb1-4e9c-954c-a6caa39d8d4e | mp-30533 | Move atoms at indices [8, 4, 10, 0, 6, 3, 11, 5, 7, 9, 1, 2] by [ 1.86 -2.847 -2.556] angstrom in the cif file. | data_image0
_chemical_formula_structural K2Pt4S6
_chemical_formula_sum "K2 Pt4 S6"
_cell_length_a 7.6089531
_cell_length_b 7.60895477
_cell_length_c 7.60895312
_cell_angle_alpha 55.51466393000001
_cell_angle_beta 55.51466044
_cell_angle_gamma 55.51466319
_space_group_name... | data_image0
_chemical_formula_structural K2Pt4S6
_chemical_formula_sum "K2 Pt4 S6"
_cell_length_a 7.6089531
_cell_length_b 7.60895477
_cell_length_c 7.60895312
_cell_angle_alpha 55.51466393000001
_cell_angle_beta 55.51466044
_cell_angle_gamma 55.51466319
_space_group_name... |
MoveSelectedAtomsAction | 6ccc0119-0a0b-4b72-9690-df5add5fe61d | mp-1229042 | Move atoms at indices [27, 33, 13, 0, 24, 12, 36, 25, 34, 3, 28, 22, 18, 1, 14, 7] by [-2.153 -0.338 2.163] 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 | f5b88396-4b47-4683-93d0-b5c3743e0eb2 | mp-1016342 | Move atoms at indices [14, 6] by [-0.484 1.068 0.323] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2Mg12Sb2
_chemical_formula_sum "Sr2 Mg12 Sb2"
_cell_length_a 5.19019
_cell_length_b 6.954601
_cell_length_c 11.657676
_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 Sr2Mg12Sb2
_chemical_formula_sum "Sr2 Mg12 Sb2"
_cell_length_a 5.19019
_cell_length_b 6.954601
_cell_length_c 11.657676
_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 | 5091f5b8-58fa-474f-b84a-b89ac14982f7 | mp-1213157 | Move atoms at indices [0] by [ 1.07 -1.627 3.115] angstrom in the cif file. | data_image0
_chemical_formula_structural CsScW2O8
_chemical_formula_sum "Cs1 Sc1 W2 O8"
_cell_length_a 5.9272544
_cell_length_b 5.9272544
_cell_length_c 8.105797
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000445999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural CsScW2O8
_chemical_formula_sum "Cs1 Sc1 W2 O8"
_cell_length_a 5.9272544
_cell_length_b 5.9272544
_cell_length_c 8.105797
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000445999999
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | e9b559d3-e2b4-4fd6-891c-48320183e3d1 | mp-1349418 | Move atoms at indices [43, 36, 32, 27, 40, 8, 31, 26, 34, 25, 1, 16] by [-0.704 1.509 -3.222] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4Mo12O28
_chemical_formula_sum "Mg4 Mo12 O28"
_cell_length_a 5.765112
_cell_length_b 9.952709
_cell_length_c 11.030421
_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 Mg4Mo12O28
_chemical_formula_sum "Mg4 Mo12 O28"
_cell_length_a 5.765112
_cell_length_b 9.952709
_cell_length_c 11.030421
_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 | 732e7844-a21c-4af1-94de-c94a96ecbfc3 | mp-19873 | Move atoms at indices [8, 0, 1, 3, 10] by [1.283 1.318 0.123] angstrom in the cif file. | data_image0
_chemical_formula_structural Dy4Si4Ru4
_chemical_formula_sum "Dy4 Si4 Ru4"
_cell_length_a 4.34407646
_cell_length_b 6.98785418
_cell_length_c 7.00979702
_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 Dy4Si4Ru4
_chemical_formula_sum "Dy4 Si4 Ru4"
_cell_length_a 4.34407646
_cell_length_b 6.98785418
_cell_length_c 7.00979702
_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 | efdf3728-b7e2-44d2-a9e9-4b7f0247a96d | mp-1352636 | Move atoms at indices [6, 11, 41, 45, 14, 37, 33, 3, 27, 39, 17, 4, 30, 23, 31, 36, 49, 42, 7, 47, 20, 44, 35, 34, 25, 8, 2, 40, 26, 48, 13, 5, 32, 19, 46, 38, 1, 10, 16, 51, 12, 43] by [ 2.285 -0.501 -1.955] angstrom in the cif file. | data_image0
_chemical_formula_structural Y4Cr12O36
_chemical_formula_sum "Y4 Cr12 O36"
_cell_length_a 5.574485
_cell_length_b 8.04990414
_cell_length_c 16.05674558
_cell_angle_alpha 90.17412906
_cell_angle_beta 90.07333635
_cell_angle_gamma 90.2540626
_space_group_name_H-... | data_image0
_chemical_formula_structural Y4Cr12O36
_chemical_formula_sum "Y4 Cr12 O36"
_cell_length_a 5.574485
_cell_length_b 8.04990414
_cell_length_c 16.05674558
_cell_angle_alpha 90.17412906
_cell_angle_beta 90.07333635
_cell_angle_gamma 90.2540626
_space_group_name_H-... |
MoveSelectedAtomsAction | 7dc1fc41-3006-4b33-b07f-66e2e98ffaad | mp-1003545 | Move atoms at indices [10, 12, 6, 2, 4] by [-0.267 0.151 1.479] angstrom in the cif file. | data_image0
_chemical_formula_structural MgMn4O8
_chemical_formula_sum "Mg1 Mn4 O8"
_cell_length_a 5.279668
_cell_length_b 5.81958142
_cell_length_c 5.97625424
_cell_angle_alpha 117.59770881999998
_cell_angle_beta 89.56144663
_cell_angle_gamma 108.09900792999998
_space_gr... | data_image0
_chemical_formula_structural MgMn4O8
_chemical_formula_sum "Mg1 Mn4 O8"
_cell_length_a 5.279668
_cell_length_b 5.81958142
_cell_length_c 5.97625424
_cell_angle_alpha 117.59770881999998
_cell_angle_beta 89.56144663
_cell_angle_gamma 108.09900792999998
_space_gr... |
MoveSelectedAtomsAction | b49853a8-7aba-4980-97f9-1d6ee218808c | mp-1245618 | Move atoms at indices [5, 1, 7, 8, 3, 2, 9, 0, 4, 6] by [-0.862 -2.495 4.233] angstrom in the cif file. | data_image0
_chemical_formula_structural Ge4Te2N4
_chemical_formula_sum "Ge4 Te2 N4"
_cell_length_a 6.99902437
_cell_length_b 5.90248045
_cell_length_c 5.3053502
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 114.93971298
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Ge4Te2N4
_chemical_formula_sum "Ge4 Te2 N4"
_cell_length_a 6.99902437
_cell_length_b 5.90248045
_cell_length_c 5.3053502
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 114.93971298
_space_group_name_H-M_alt "P 1"... |
MoveSelectedAtomsAction | 005e8c7b-b8bd-4883-8b88-343e71f63956 | mp-28092 | Move atoms at indices [75, 80, 23, 49, 91, 87, 47, 21, 72, 86, 90, 9, 58, 24, 74, 35, 53, 3, 78, 92, 79, 51, 18, 81, 48, 26, 55, 42, 68, 67, 84, 34, 5, 33, 61, 31, 77, 13, 36] by [-3.994 -3.421 -1.272] angstrom in the cif file. | data_image0
_chemical_formula_structural B40H52O2
_chemical_formula_sum "B40 H52 O2"
_cell_length_a 13.41078563
_cell_length_b 13.41078563
_cell_length_c 10.39757687
_cell_angle_alpha 84.05207654
_cell_angle_beta 84.05207654
_cell_angle_gamma 33.33214107
_space_group_name... | data_image0
_chemical_formula_structural B40H52O2
_chemical_formula_sum "B40 H52 O2"
_cell_length_a 13.41078563
_cell_length_b 13.41078563
_cell_length_c 10.39757687
_cell_angle_alpha 84.05207654
_cell_angle_beta 84.05207654
_cell_angle_gamma 33.33214107
_space_group_name... |
MoveSelectedAtomsAction | 5c717402-5617-4de3-b067-5e3eb1a05f67 | mp-6858 | Move atoms at indices [5, 11, 17, 10, 8, 2, 9, 4, 13, 15, 6] by [1.015 0.723 1.516] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2C2S2O6F6
_chemical_formula_sum "Rb2 C2 S2 O6 F6"
_cell_length_a 5.86024
_cell_length_b 5.285758
_cell_length_c 10.58239184
_cell_angle_alpha 76.40932463
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Rb2C2S2O6F6
_chemical_formula_sum "Rb2 C2 S2 O6 F6"
_cell_length_a 5.86024
_cell_length_b 5.285758
_cell_length_c 10.58239184
_cell_angle_alpha 76.40932463
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | fbebb765-10ce-4f38-aa78-446863b4a16a | mp-561525 | Move atoms at indices [11, 34, 20, 0, 3, 2, 21, 4, 13, 35, 17, 8, 16, 29, 31, 18] by [1.494 1.356 0.482] angstrom in the cif file. | data_image0
_chemical_formula_structural K6Ga6B6O21
_chemical_formula_sum "K6 Ga6 B6 O21"
_cell_length_a 8.67961741
_cell_length_b 8.67961741
_cell_length_c 8.865656
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999549000002
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural K6Ga6B6O21
_chemical_formula_sum "K6 Ga6 B6 O21"
_cell_length_a 8.67961741
_cell_length_b 8.67961741
_cell_length_c 8.865656
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999549000002
_space_group_name_H-M_al... |
MoveSelectedAtomsAction | 3e1b9483-8a70-4b7a-8929-cc01c5a2c884 | mp-1028157 | Move atoms at indices [14, 9, 4, 7, 12, 5] by [-1.074 -0.479 0.364] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14MnCu
_chemical_formula_sum "Mg14 Mn1 Cu1"
_cell_length_a 6.25919308
_cell_length_b 6.25859688
_cell_length_c 9.91951243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99685426
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Mg14MnCu
_chemical_formula_sum "Mg14 Mn1 Cu1"
_cell_length_a 6.25919308
_cell_length_b 6.25859688
_cell_length_c 9.91951243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99685426
_space_group_name_H-M_alt "P... |
MoveSelectedAtomsAction | 55a0d4ae-ac76-474d-9c09-aa2db4d92751 | mp-27209 | Move atoms at indices [21, 25, 24, 14, 18, 30, 22, 6, 9, 3, 31, 5, 26, 8, 17, 0, 28, 23, 27, 15, 2, 32] by [-4.053 1.884 -0.663] angstrom in the cif file. | data_image0
_chemical_formula_structural K6Tl6F24
_chemical_formula_sum "K6 Tl6 F24"
_cell_length_a 8.07226259
_cell_length_b 8.07224347
_cell_length_c 10.17799314
_cell_angle_alpha 89.99942524000001
_cell_angle_beta 90.00111425
_cell_angle_gamma 119.99882286999998
_space... | data_image0
_chemical_formula_structural K6Tl6F24
_chemical_formula_sum "K6 Tl6 F24"
_cell_length_a 8.07226259
_cell_length_b 8.07224347
_cell_length_c 10.17799314
_cell_angle_alpha 89.99942524000001
_cell_angle_beta 90.00111425
_cell_angle_gamma 119.99882286999998
_space... |
MoveSelectedAtomsAction | bbf4cbf7-6faa-4312-87e8-123f4edbde70 | mp-24674 | Move atoms at indices [20, 25, 0, 14, 32, 31, 2, 17, 24, 19, 15, 34, 26, 4, 35, 9, 29, 30, 6, 16, 11, 33, 21, 27, 37, 22, 10, 5, 28, 3, 18, 7, 12] by [0.059 3.755 0.765] angstrom in the cif file. | data_image0
_chemical_formula_structural Be6P4H8O20
_chemical_formula_sum "Be6 P4 H8 O20"
_cell_length_a 8.40993268
_cell_length_b 8.40993268
_cell_length_c 9.64631995
_cell_angle_alpha 85.36159719
_cell_angle_beta 85.36159719
_cell_angle_gamma 31.91254212000001
_space_gr... | data_image0
_chemical_formula_structural Be6P4H8O20
_chemical_formula_sum "Be6 P4 H8 O20"
_cell_length_a 8.40993268
_cell_length_b 8.40993268
_cell_length_c 9.64631995
_cell_angle_alpha 85.36159719
_cell_angle_beta 85.36159719
_cell_angle_gamma 31.91254212000001
_space_gr... |
MoveSelectedAtomsAction | da6c2fbf-2786-4f48-a883-7a6d00167778 | mp-1216939 | Move atoms at indices [45, 0, 49, 3, 20, 34, 16, 14, 44, 22, 13, 36, 52, 25, 42, 8, 15, 54, 53, 50, 19, 12, 40, 17, 28, 23, 1, 43, 6, 4, 18, 24, 33, 51, 55, 39, 10] by [-1.255 0.973 2.681] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti8Te8O24F16
_chemical_formula_sum "Ti8 Te8 O24 F16"
_cell_length_a 7.522666
_cell_length_b 6.628403
_cell_length_c 18.074032869999996
_cell_angle_alpha 68.4806878
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ti8Te8O24F16
_chemical_formula_sum "Ti8 Te8 O24 F16"
_cell_length_a 7.522666
_cell_length_b 6.628403
_cell_length_c 18.074032869999996
_cell_angle_alpha 68.4806878
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveSelectedAtomsAction | 88decb9f-6a04-427e-8ba5-40ee9a7b5e1a | mp-1196290 | Move atoms at indices [19, 4, 17, 40, 28, 2] by [-2.143 -0.249 -0.339] angstrom in the cif file. | data_image0
_chemical_formula_structural Ge4P8O36
_chemical_formula_sum "Ge4 P8 O36"
_cell_length_a 4.876505
_cell_length_b 8.41757901
_cell_length_c 15.602034999999999
_cell_angle_alpha 99.61125826
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ge4P8O36
_chemical_formula_sum "Ge4 P8 O36"
_cell_length_a 4.876505
_cell_length_b 8.41757901
_cell_length_c 15.602034999999999
_cell_angle_alpha 99.61125826
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 2777aad7-4853-40af-899d-d923211491da | mp-1233619 | Move atoms at indices [20, 25, 26, 10, 1, 24, 15, 19, 11, 2, 21] by [2.435 1.754 0.821] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2MgZn2Sn2P4O16
_chemical_formula_sum "Sr2 Mg1 Zn2 Sn2 P4 O16"
_cell_length_a 5.56800446
_cell_length_b 7.7546931
_cell_length_c 10.101868360000001
_cell_angle_alpha 112.66910609
_cell_angle_beta 96.09810579
_cell_angle_gamma 91.71... | data_image0
_chemical_formula_structural Sr2MgZn2Sn2P4O16
_chemical_formula_sum "Sr2 Mg1 Zn2 Sn2 P4 O16"
_cell_length_a 5.56800446
_cell_length_b 7.7546931
_cell_length_c 10.101868360000001
_cell_angle_alpha 112.66910609
_cell_angle_beta 96.09810579
_cell_angle_gamma 91.71... |
MoveSelectedAtomsAction | 89eb3380-3602-4fa5-907a-71c9eff8b057 | mp-1210057 | Move atoms at indices [2, 29, 22, 40, 16, 25, 5, 3, 28, 13, 10, 19, 6, 15, 0, 1, 4, 38, 33, 34, 21, 31, 27, 36, 12, 9, 7, 30, 41, 37, 14, 8, 11, 32, 17, 18, 26, 23, 24, 35] by [-0.412 -2.115 -0.936] angstrom in the cif file. | data_image0
_chemical_formula_structural P6Pb10Br2O24
_chemical_formula_sum "P6 Pb10 Br2 O24"
_cell_length_a 10.24810365
_cell_length_b 10.248103649999997
_cell_length_c 7.361383
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999774
_space_group_name... | data_image0
_chemical_formula_structural P6Pb10Br2O24
_chemical_formula_sum "P6 Pb10 Br2 O24"
_cell_length_a 10.24810365
_cell_length_b 10.248103649999997
_cell_length_c 7.361383
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999774
_space_group_name... |
MoveSelectedAtomsAction | 4a03e6f0-d2eb-4cc0-a69f-227a14b81994 | mp-1214717 | Move atoms at indices [28, 38, 30, 18, 8, 41, 27, 37, 33, 7] by [-0.488 1.583 -0.161] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba6Sr4Re6Cl2O30
_chemical_formula_sum "Ba6 Sr4 Re6 Cl2 O30"
_cell_length_a 10.90359366
_cell_length_b 10.90359366
_cell_length_c 7.820346
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999792
_space_group_name... | data_image0
_chemical_formula_structural Ba6Sr4Re6Cl2O30
_chemical_formula_sum "Ba6 Sr4 Re6 Cl2 O30"
_cell_length_a 10.90359366
_cell_length_b 10.90359366
_cell_length_c 7.820346
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999792
_space_group_name... |
MoveSelectedAtomsAction | c069bb27-6dd1-4a87-99ee-cb5c002bfdab | mp-18411 | Move atoms at indices [9, 23, 4, 26, 0, 14, 20, 27, 8, 12, 10, 19, 22, 5, 21, 25, 3, 7, 16, 6, 18, 13, 15, 24, 17, 1, 11] by [-2.666 -5.045 -2.855] angstrom in the cif file. | data_image0
_chemical_formula_structural Na12Ge4Se12
_chemical_formula_sum "Na12 Ge4 Se12"
_cell_length_a 11.90035661
_cell_length_b 8.2376087
_cell_length_c 8.37020124
_cell_angle_alpha 60.720833670000005
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Na12Ge4Se12
_chemical_formula_sum "Na12 Ge4 Se12"
_cell_length_a 11.90035661
_cell_length_b 8.2376087
_cell_length_c 8.37020124
_cell_angle_alpha 60.720833670000005
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
MoveSelectedAtomsAction | f6a6686a-a41a-483f-b5dd-7ab385a022fb | mp-684504 | Move atoms at indices [31, 6, 18, 3, 11, 27, 44, 2, 78, 17, 69, 52, 61, 35, 13, 36, 46, 42, 32, 25, 33, 24, 56, 49, 9, 34, 53, 26, 59, 14, 19, 16, 30, 0, 10, 62, 45, 39, 70, 60, 64, 8, 74, 47, 23, 58, 43, 68, 63, 77, 22, 28, 57, 48, 55, 51, 15, 66, 5, 21, 76, 67, 75, 29, 79, 54, 73, 4, 20, 72, 37, 40] by [-1.535 1.539... | data_image0
_chemical_formula_structural Li12Bi8P12O48
_chemical_formula_sum "Li12 Bi8 P12 O48"
_cell_length_a 9.233426
_cell_length_b 9.224183
_cell_length_c 16.03576682
_cell_angle_alpha 56.32682854
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li12Bi8P12O48
_chemical_formula_sum "Li12 Bi8 P12 O48"
_cell_length_a 9.233426
_cell_length_b 9.224183
_cell_length_c 16.03576682
_cell_angle_alpha 56.32682854
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 21442245-e52e-464f-8752-79f66dbc90de | mp-989647 | Move atoms at indices [13, 11, 12, 6, 10, 7, 15, 3, 19, 2, 17, 1, 5, 18, 14, 0, 8, 9, 16] by [-0.754 -0.653 3.33 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Y4Re4N12
_chemical_formula_sum "Y4 Re4 N12"
_cell_length_a 5.3829449
_cell_length_b 5.59557393
_cell_length_c 7.68551211
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Y4Re4N12
_chemical_formula_sum "Y4 Re4 N12"
_cell_length_a 5.3829449
_cell_length_b 5.59557393
_cell_length_c 7.68551211
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
MoveSelectedAtomsAction | 1397ce6a-0766-4b01-b970-b7c76184979f | mp-1219159 | Move atoms at indices [0, 7, 17, 15, 10, 22, 11, 21, 18, 4, 12, 8, 20, 19, 5, 16] by [ 0.835 0.95 -0.77 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Sm6Ge3S14
_chemical_formula_sum "Sm6 Ge3 S14"
_cell_length_a 10.12390165
_cell_length_b 10.123891029999998
_cell_length_c 5.7705172099999995
_cell_angle_alpha 90.00000796
_cell_angle_beta 90.00005113
_cell_angle_gamma 119.9998358499... | data_image0
_chemical_formula_structural Sm6Ge3S14
_chemical_formula_sum "Sm6 Ge3 S14"
_cell_length_a 10.12390165
_cell_length_b 10.123891029999998
_cell_length_c 5.7705172099999995
_cell_angle_alpha 90.00000796
_cell_angle_beta 90.00005113
_cell_angle_gamma 119.9998358499... |
MoveSelectedAtomsAction | 436410cd-039f-4782-a2b8-1ac385ad76fe | mp-542176 | Move atoms at indices [37, 52, 57, 32, 55, 38, 56, 5, 49, 62, 29, 23, 31, 48, 9, 60, 46, 64, 16, 13, 65, 61, 66, 33, 0, 69, 70, 6, 8, 12, 39, 51, 63, 14, 53, 24, 30, 1, 50, 2, 40, 10, 28, 35, 21, 15, 17, 41, 43, 11, 25, 71, 67, 34, 7, 44, 19, 26, 47, 27, 36] by [-2.981 0.45 -0.695] angstrom in the cif file. | data_image0
_chemical_formula_structural Cu4H32C16O20
_chemical_formula_sum "Cu4 H32 C16 O20"
_cell_length_a 7.97846796
_cell_length_b 7.97846796
_cell_length_c 13.94462419
_cell_angle_alpha 68.02758242999998
_cell_angle_beta 68.02758242999998
_cell_angle_gamma 66.35535008... | data_image0
_chemical_formula_structural Cu4H32C16O20
_chemical_formula_sum "Cu4 H32 C16 O20"
_cell_length_a 7.97846796
_cell_length_b 7.97846796
_cell_length_c 13.94462419
_cell_angle_alpha 68.02758242999998
_cell_angle_beta 68.02758242999998
_cell_angle_gamma 66.35535008... |
MoveSelectedAtomsAction | 784b6c42-ed9e-4e05-a911-fa5098c987bc | mp-759549 | Move atoms at indices [0, 21, 25, 28, 27, 10, 6, 22, 9, 17, 31, 8, 19, 24, 1, 5, 14] by [-4.049 -3.469 -1.556] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn2P8O24
_chemical_formula_sum "Mn2 P8 O24"
_cell_length_a 8.773979
_cell_length_b 7.132297
_cell_length_c 8.45164641
_cell_angle_alpha 57.34594921
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Mn2P8O24
_chemical_formula_sum "Mn2 P8 O24"
_cell_length_a 8.773979
_cell_length_b 7.132297
_cell_length_c 8.45164641
_cell_angle_alpha 57.34594921
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveSelectedAtomsAction | e11082e5-0b44-4661-a955-04667c954099 | mp-7596 | Move atoms at indices [6, 2, 7, 11] by [-0.676 2.966 0.328] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb4N4O4
_chemical_formula_sum "Nb4 N4 O4"
_cell_length_a 5.02537217
_cell_length_b 5.08412688
_cell_length_c 5.24459321
_cell_angle_alpha 90.0
_cell_angle_beta 99.61597434
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Nb4N4O4
_chemical_formula_sum "Nb4 N4 O4"
_cell_length_a 5.02537217
_cell_length_b 5.08412688
_cell_length_c 5.24459321
_cell_angle_alpha 90.0
_cell_angle_beta 99.61597434
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveSelectedAtomsAction | a6705cba-3476-48d0-ad2c-db12dc5118b3 | mp-1221993 | Move atoms at indices [12, 8, 13, 2, 4, 21, 19, 7, 1, 9, 17, 20, 5, 16, 15, 6, 18] by [ 0.646 0.878 -1.62 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg2Zr2Si4O14
_chemical_formula_sum "Mg2 Zr2 Si4 O14"
_cell_length_a 6.62699437
_cell_length_b 6.62699437
_cell_length_c 6.62699437
_cell_angle_alpha 120.81728044000002
_cell_angle_beta 118.77618471
_cell_angle_gamma 90.3614645500000... | data_image0
_chemical_formula_structural Mg2Zr2Si4O14
_chemical_formula_sum "Mg2 Zr2 Si4 O14"
_cell_length_a 6.62699437
_cell_length_b 6.62699437
_cell_length_c 6.62699437
_cell_angle_alpha 120.81728044000002
_cell_angle_beta 118.77618471
_cell_angle_gamma 90.3614645500000... |
MoveSelectedAtomsAction | 5f63426f-633c-4627-8b5e-82f32c22c178 | mp-26845 | Move atoms at indices [25, 5, 22, 15, 19, 10, 21, 37, 18, 31, 34, 1, 29, 24, 30, 20, 35, 26, 12, 17, 32, 33, 3, 6, 36, 2, 13, 27, 11, 0, 38] by [-1.352 1.596 -0.314] angstrom in the cif file. | data_image0
_chemical_formula_structural Li6Mn4P6O24
_chemical_formula_sum "Li6 Mn4 P6 O24"
_cell_length_a 8.81995309
_cell_length_b 8.81995309
_cell_length_c 11.515695880000003
_cell_angle_alpha 45.84620983999999
_cell_angle_beta 45.84620983999999
_cell_angle_gamma 60.270... | data_image0
_chemical_formula_structural Li6Mn4P6O24
_chemical_formula_sum "Li6 Mn4 P6 O24"
_cell_length_a 8.81995309
_cell_length_b 8.81995309
_cell_length_c 11.515695880000003
_cell_angle_alpha 45.84620983999999
_cell_angle_beta 45.84620983999999
_cell_angle_gamma 60.270... |
MoveSelectedAtomsAction | 3467307f-19da-4bb6-8cfc-07eb10e9c1b4 | mp-1208346 | Move atoms at indices [6, 19, 8, 22, 1, 23, 18, 21, 0, 4, 5, 2, 7, 20, 10, 11, 3] by [-0.563 1.307 2.952] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb4Fe4B16
_chemical_formula_sum "Tb4 Fe4 B16"
_cell_length_a 3.42877021
_cell_length_b 5.90351878
_cell_length_c 11.43350165
_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 Tb4Fe4B16
_chemical_formula_sum "Tb4 Fe4 B16"
_cell_length_a 3.42877021
_cell_length_b 5.90351878
_cell_length_c 11.43350165
_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 | bfba3c11-4552-4b5b-9d29-9130ba0c3fcf | mp-800259 | Move atoms at indices [16, 11, 8, 4, 10, 0, 5, 14, 2, 9, 6] by [-1.741 1.388 2.769] angstrom in the cif file. | data_image0
_chemical_formula_structural Li5Cr3FeO8
_chemical_formula_sum "Li5 Cr3 Fe1 O8"
_cell_length_a 5.994255
_cell_length_b 5.9972526
_cell_length_c 6.05051969
_cell_angle_alpha 119.50204335000001
_cell_angle_beta 90.27845360999999
_cell_angle_gamma 119.8688950300000... | data_image0
_chemical_formula_structural Li5Cr3FeO8
_chemical_formula_sum "Li5 Cr3 Fe1 O8"
_cell_length_a 5.994255
_cell_length_b 5.9972526
_cell_length_c 6.05051969
_cell_angle_alpha 119.50204335000001
_cell_angle_beta 90.27845360999999
_cell_angle_gamma 119.8688950300000... |
MoveSelectedAtomsAction | 5c7e2f35-06d0-4deb-865b-a9934e404248 | mp-1211033 | Move atoms at indices [12] by [-0.335 -3.187 -3.265] angstrom in the cif file. | data_image0
_chemical_formula_structural Lu12In2Fe3
_chemical_formula_sum "Lu12 In2 Fe3"
_cell_length_a 8.15749244
_cell_length_b 8.15748797
_cell_length_c 8.15752811
_cell_angle_alpha 108.89905187
_cell_angle_beta 108.89905825
_cell_angle_gamma 110.62113047000001
_space_... | data_image0
_chemical_formula_structural Lu12In2Fe3
_chemical_formula_sum "Lu12 In2 Fe3"
_cell_length_a 8.15749244
_cell_length_b 8.15748797
_cell_length_c 8.15752811
_cell_angle_alpha 108.89905187
_cell_angle_beta 108.89905825
_cell_angle_gamma 110.62113047000001
_space_... |
MoveSelectedAtomsAction | caf7e24f-c372-4f00-9fe0-6008f6297c4d | mp-704406 | Move atoms at indices [40, 91, 28, 23, 65, 54, 89, 60, 32, 24, 4, 96, 47, 16, 81, 8, 20, 25, 51, 72, 84, 36, 21, 17, 13, 49, 90, 95, 69, 27, 5, 55, 66, 45, 1, 42, 56, 70, 3, 2, 41, 50, 98, 38, 18] by [-0.559 0.767 -0.641] angstrom in the cif file. | data_image0
_chemical_formula_structural U9Mo18O72
_chemical_formula_sum "U9 Mo18 O72"
_cell_length_a 17.73976239
_cell_length_b 17.73976239
_cell_length_c 6.219
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000145999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural U9Mo18O72
_chemical_formula_sum "U9 Mo18 O72"
_cell_length_a 17.73976239
_cell_length_b 17.73976239
_cell_length_c 6.219
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000145999998
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | d735b05e-ec62-4f13-bdbc-ac795f1636fa | mp-1045114 | Move atoms at indices [8, 1, 29, 16, 17, 15, 12] by [-0.439 4.327 -1.671] angstrom in the cif file. | data_image0
_chemical_formula_structural Al2V6Se4Cl2O16
_chemical_formula_sum "Al2 V6 Se4 Cl2 O16"
_cell_length_a 6.64995
_cell_length_b 8.00421245
_cell_length_c 9.98110253
_cell_angle_alpha 90.95969209
_cell_angle_beta 104.33704289
_cell_angle_gamma 90.33209238
_space_g... | data_image0
_chemical_formula_structural Al2V6Se4Cl2O16
_chemical_formula_sum "Al2 V6 Se4 Cl2 O16"
_cell_length_a 6.64995
_cell_length_b 8.00421245
_cell_length_c 9.98110253
_cell_angle_alpha 90.95969209
_cell_angle_beta 104.33704289
_cell_angle_gamma 90.33209238
_space_g... |
MoveSelectedAtomsAction | 4ae10349-c1df-4df9-a25c-6e20dc47d2ff | mp-1111627 | Move atoms at indices [1, 5, 8] by [-0.925 -0.978 0.858] angstrom in the cif file. | data_image0
_chemical_formula_structural K2NaPdF6
_chemical_formula_sum "K2 Na1 Pd1 F6"
_cell_length_a 6.08531146
_cell_length_b 6.08531146
_cell_length_c 6.08531146
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural K2NaPdF6
_chemical_formula_sum "K2 Na1 Pd1 F6"
_cell_length_a 6.08531146
_cell_length_b 6.08531146
_cell_length_c 6.08531146
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999999999... |
MoveSelectedAtomsAction | 45eefe50-f716-4b6c-8c97-48e10ec66650 | mp-1195295 | Move atoms at indices [36] by [ 1.181 -1.873 -0.274] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Fe20O28
_chemical_formula_sum "Ca4 Fe20 O28"
_cell_length_a 5.39499771
_cell_length_b 6.16721836
_cell_length_c 18.023941
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 106.70444981
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ca4Fe20O28
_chemical_formula_sum "Ca4 Fe20 O28"
_cell_length_a 5.39499771
_cell_length_b 6.16721836
_cell_length_c 18.023941
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 106.70444981
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | e0702dc4-b487-482f-ab37-ee6b3a42f20b | mp-1196284 | Move atoms at indices [7, 53, 10, 52, 32, 19, 39, 9, 33, 5, 6, 22, 27, 46, 15, 16, 30, 43, 3, 42, 4, 20, 31, 8, 21, 29, 49, 41, 51, 2, 18] by [-0.694 3.509 -3.268] angstrom in the cif file. | data_image0
_chemical_formula_structural U6Al38Ni10
_chemical_formula_sum "U6 Al38 Ni10"
_cell_length_a 8.18645193
_cell_length_b 8.18645193
_cell_length_c 26.861989
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 151.21855284
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural U6Al38Ni10
_chemical_formula_sum "U6 Al38 Ni10"
_cell_length_a 8.18645193
_cell_length_b 8.18645193
_cell_length_c 26.861989
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 151.21855284
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | 70df4704-c6e1-4529-9163-ed6eb61af570 | mp-28263 | Move atoms at indices [9, 16, 12, 4, 10, 22, 2, 5, 8, 7, 0] by [ 1.684 0.079 -0.458] angstrom in the cif file. | data_image0
_chemical_formula_structural K4H12O8
_chemical_formula_sum "K4 H12 O8"
_cell_length_a 5.69184007
_cell_length_b 5.7809945
_cell_length_c 7.87531014
_cell_angle_alpha 70.21423391
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural K4H12O8
_chemical_formula_sum "K4 H12 O8"
_cell_length_a 5.69184007
_cell_length_b 5.7809945
_cell_length_c 7.87531014
_cell_angle_alpha 70.21423391
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
MoveSelectedAtomsAction | a300c30b-b4ff-45e4-adfa-55ba6bc4a5cc | mp-1224446 | Move atoms at indices [11, 4, 1, 8, 5, 0, 6, 10] by [-4.514 0.987 1.482] angstrom in the cif file. | data_image0
_chemical_formula_structural Hf3TaFe8
_chemical_formula_sum "Hf3 Ta1 Fe8"
_cell_length_a 4.94351674
_cell_length_b 4.94351723
_cell_length_c 8.06256995
_cell_angle_alpha 89.99999899
_cell_angle_beta 89.99998777
_cell_angle_gamma 119.99922461000001
_space_group... | data_image0
_chemical_formula_structural Hf3TaFe8
_chemical_formula_sum "Hf3 Ta1 Fe8"
_cell_length_a 4.94351674
_cell_length_b 4.94351723
_cell_length_c 8.06256995
_cell_angle_alpha 89.99999899
_cell_angle_beta 89.99998777
_cell_angle_gamma 119.99922461000001
_space_group... |
MoveSelectedAtomsAction | 3a92cf1f-cb33-48eb-b797-7475c951599d | mp-766284 | Move atoms at indices [48, 34, 25, 11, 61, 66, 49, 64, 74, 18, 62, 10, 0, 65, 47, 46, 37, 26, 24, 20, 2, 12, 36, 44, 30, 22, 3] by [-0.644 0.353 -3.299] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr16Ru12O48
_chemical_formula_sum "Sr16 Ru12 O48"
_cell_length_a 5.576479
_cell_length_b 9.793504
_cell_length_c 18.332635
_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 Sr16Ru12O48
_chemical_formula_sum "Sr16 Ru12 O48"
_cell_length_a 5.576479
_cell_length_b 9.793504
_cell_length_c 18.332635
_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 | 438e1890-3376-40ea-8c88-a201dfd88708 | mp-1205906 | Move atoms at indices [15, 7, 3, 0, 13, 9, 14, 8, 12, 5, 1, 17, 10, 11, 6, 16, 4, 2] by [ 1.899 -0.679 -2.575] angstrom in the cif file. | data_image0
_chemical_formula_structural K2Mn2I2O12
_chemical_formula_sum "K2 Mn2 I2 O12"
_cell_length_a 5.12804591
_cell_length_b 5.12804591
_cell_length_c 12.256575
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999880000001
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural K2Mn2I2O12
_chemical_formula_sum "K2 Mn2 I2 O12"
_cell_length_a 5.12804591
_cell_length_b 5.12804591
_cell_length_c 12.256575
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999880000001
_space_group_name_H-M_a... |
MoveSelectedAtomsAction | 0b2d4b9a-e988-405a-a98c-8f5df4ee0417 | mp-1043615 | Move atoms at indices [2, 20, 18, 10, 38, 17, 11, 31, 40, 14, 30, 21, 22, 32, 0, 13, 8, 26, 33, 23, 27, 19, 6, 34, 9, 7, 28, 35, 5, 36, 3, 29] by [1.376 2.806 0.904] 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 | 67afb21c-de55-4f3c-82c7-cdc3bc1ea09d | mp-1233729 | Move atoms at indices [19] by [-1.225 2.013 0.637] angstrom in the cif file. | data_image0
_chemical_formula_structural MgZn4Co6O16
_chemical_formula_sum "Mg1 Zn4 Co6 O16"
_cell_length_a 5.77630383
_cell_length_b 5.89151648
_cell_length_c 9.98240859
_cell_angle_alpha 87.77596076
_cell_angle_beta 91.08734965
_cell_angle_gamma 119.54466654
_space_grou... | data_image0
_chemical_formula_structural MgZn4Co6O16
_chemical_formula_sum "Mg1 Zn4 Co6 O16"
_cell_length_a 5.77630383
_cell_length_b 5.89151648
_cell_length_c 9.98240859
_cell_angle_alpha 87.77596076
_cell_angle_beta 91.08734965
_cell_angle_gamma 119.54466654
_space_grou... |
MoveSelectedAtomsAction | 19c1c1c2-c29e-4062-b843-e722cd62543e | mp-26956 | Move atoms at indices [15, 59, 18, 54, 4, 0, 17, 46, 65, 60, 23, 19, 43, 31, 39, 47, 36, 26, 55, 10, 28, 64, 24, 57, 9, 32, 49, 7, 11, 66, 67, 33, 51, 5, 1, 29, 42, 63, 13, 6, 45, 21, 53, 35, 41, 58, 2, 40, 16, 20, 8, 61, 3, 14, 50, 56, 52, 25, 27, 30, 12, 22, 38, 62, 44] by [-0.108 2.847 -4.086] angstrom in the cif f... | 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 | 19b49d90-8ca8-49fc-8dfc-99b6f044ac83 | mp-627591 | Move atoms at indices [0, 17, 2, 27, 26, 12, 16, 25, 20, 5, 8, 23, 1, 14, 15, 6] by [ 0.358 1.088 -2.73 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe8Si4S16
_chemical_formula_sum "Fe8 Si4 S16"
_cell_length_a 5.808157
_cell_length_b 7.026927
_cell_length_c 12.166527
_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 Fe8Si4S16
_chemical_formula_sum "Fe8 Si4 S16"
_cell_length_a 5.808157
_cell_length_b 7.026927
_cell_length_c 12.166527
_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 | 8c41fcb4-516a-422f-9ad8-a6773b9ad861 | mp-1190970 | Move atoms at indices [10, 12, 2, 4, 0, 20] by [ 0.723 -1.497 -0.127] angstrom in the cif file. | data_image0
_chemical_formula_structural Dy6Re2B14
_chemical_formula_sum "Dy6 Re2 B14"
_cell_length_a 8.09792605
_cell_length_b 8.09792605
_cell_length_c 9.363645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 154.74998492
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Dy6Re2B14
_chemical_formula_sum "Dy6 Re2 B14"
_cell_length_a 8.09792605
_cell_length_b 8.09792605
_cell_length_c 9.363645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 154.74998492
_space_group_name_H-M_alt "P 1... |
MoveSelectedAtomsAction | 096b5dd0-f44b-43ca-92b3-2607d5773430 | mp-2196 | Move atoms at indices [16, 7, 12, 10, 5, 9, 6, 0, 15, 17, 3, 13, 4, 1] by [-0.763 1.578 3.948] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba6Sb12
_chemical_formula_sum "Ba6 Sb12"
_cell_length_a 4.4286625
_cell_length_b 11.92156711
_cell_length_c 12.693525489999999
_cell_angle_alpha 101.41346017
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba6Sb12
_chemical_formula_sum "Ba6 Sb12"
_cell_length_a 4.4286625
_cell_length_b 11.92156711
_cell_length_c 12.693525489999999
_cell_angle_alpha 101.41346017
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 04ea5a60-3080-44c8-a94a-b83a548814f4 | mp-1247503 | Move atoms at indices [3, 4] by [-0.462 -1.828 -1.262] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn4Cu2N4
_chemical_formula_sum "Mn4 Cu2 N4"
_cell_length_a 2.852414
_cell_length_b 2.850546
_cell_length_c 12.150266
_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 Mn4Cu2N4
_chemical_formula_sum "Mn4 Cu2 N4"
_cell_length_a 2.852414
_cell_length_b 2.850546
_cell_length_c 12.150266
_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 | 865db1f9-ee55-4a57-beb8-d3b96336c7fa | mp-759335 | Move atoms at indices [27, 57, 30, 29, 14, 2, 78, 55, 5, 23, 31, 67, 0, 85, 72, 52, 47, 70, 71, 76, 75, 44, 12, 17, 3, 24, 4, 32, 80, 19, 61, 8, 86, 58, 21, 10, 33, 59, 20, 66, 42, 73, 15, 51, 48, 56, 79, 40, 36, 81, 60, 34, 64, 45, 82, 16, 50, 39, 25, 89, 49, 88, 22, 35, 41, 68, 26, 28, 84, 9, 46, 37, 1, 11, 7, 43, 6,... | data_image0
_chemical_formula_structural Li10V6P16O58
_chemical_formula_sum "Li10 V6 P16 O58"
_cell_length_a 9.790742
_cell_length_b 9.80038608
_cell_length_c 14.10371707
_cell_angle_alpha 89.55844878
_cell_angle_beta 89.37286967
_cell_angle_gamma 60.21795085
_space_group... | data_image0
_chemical_formula_structural Li10V6P16O58
_chemical_formula_sum "Li10 V6 P16 O58"
_cell_length_a 9.790742
_cell_length_b 9.80038608
_cell_length_c 14.10371707
_cell_angle_alpha 89.55844878
_cell_angle_beta 89.37286967
_cell_angle_gamma 60.21795085
_space_group... |
MoveSelectedAtomsAction | 4d98fed0-d453-4b74-b331-b275fe0c32ba | mp-1207697 | Move atoms at indices [7, 9, 3, 5, 6, 4, 2, 0, 1] by [ 0.403 0.856 -1.391] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr3CuF6
_chemical_formula_sum "Zr3 Cu1 F6"
_cell_length_a 5.91990173
_cell_length_b 5.46689964
_cell_length_c 14.99135978
_cell_angle_alpha 107.07052544
_cell_angle_beta 54.69426013
_cell_angle_gamma 122.7301337
_space_group_name_H... | data_image0
_chemical_formula_structural Zr3CuF6
_chemical_formula_sum "Zr3 Cu1 F6"
_cell_length_a 5.91990173
_cell_length_b 5.46689964
_cell_length_c 14.99135978
_cell_angle_alpha 107.07052544
_cell_angle_beta 54.69426013
_cell_angle_gamma 122.7301337
_space_group_name_H... |
MoveSelectedAtomsAction | 7ba0c8df-f526-435c-8e49-ed18ded00d51 | mp-754739 | Move atoms at indices [2, 10] by [-0.833 2.824 -0.138] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2Be6O8
_chemical_formula_sum "Ca2 Be6 O8"
_cell_length_a 4.57656117
_cell_length_b 4.57656117
_cell_length_c 8.786886
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998806
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Ca2Be6O8
_chemical_formula_sum "Ca2 Be6 O8"
_cell_length_a 4.57656117
_cell_length_b 4.57656117
_cell_length_c 8.786886
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998806
_space_group_name_H-M_alt "P 1"
... |
MoveSelectedAtomsAction | 47077960-1c52-4511-b52e-e6850764b62c | mp-13413 | Move atoms at indices [16, 9, 10, 25, 20, 26, 4, 8, 0, 22, 15, 18, 14, 6, 2, 3, 11, 1, 17, 19] by [ 0.861 -1.524 2.483] angstrom in the cif file. | data_image0
_chemical_formula_structural Th4Cu20Sn4
_chemical_formula_sum "Th4 Cu20 Sn4"
_cell_length_a 5.05406776
_cell_length_b 8.30553472
_cell_length_c 10.56519443
_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 Th4Cu20Sn4
_chemical_formula_sum "Th4 Cu20 Sn4"
_cell_length_a 5.05406776
_cell_length_b 8.30553472
_cell_length_c 10.56519443
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveSelectedAtomsAction | 1493e501-df3a-41a2-92e5-f68f4f39c03b | mp-1099629 | Move atoms at indices [18, 11, 19, 7, 14, 34] by [ 0.85 0.955 -0.24 ] angstrom in the cif file. | data_image0
_chemical_formula_structural K2Na6V5Mo3O24
_chemical_formula_sum "K2 Na6 V5 Mo3 O24"
_cell_length_a 7.746854
_cell_length_b 7.74646
_cell_length_c 7.749562620000001
_cell_angle_alpha 89.96294417
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural K2Na6V5Mo3O24
_chemical_formula_sum "K2 Na6 V5 Mo3 O24"
_cell_length_a 7.746854
_cell_length_b 7.74646
_cell_length_c 7.749562620000001
_cell_angle_alpha 89.96294417
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
MoveSelectedAtomsAction | efd93ed3-894e-4c87-864e-b8034f49a1a9 | mp-1214497 | Move atoms at indices [12, 27, 22, 11, 8, 23, 14, 26, 31, 21, 19, 33, 4, 24, 6, 36, 39, 34, 0, 5, 9, 17, 37, 10, 1, 38, 20, 35] by [ 1.142 -0.2 -0.307] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba10P6O24F2
_chemical_formula_sum "Ba10 P6 O24 F2"
_cell_length_a 10.36526542
_cell_length_b 10.36526542
_cell_length_c 7.792644
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999628
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba10P6O24F2
_chemical_formula_sum "Ba10 P6 O24 F2"
_cell_length_a 10.36526542
_cell_length_b 10.36526542
_cell_length_c 7.792644
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999628
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 0a62df72-3927-4cc5-abc1-14d9be8a9d5b | mp-560602 | Move atoms at indices [3, 5, 11, 22, 0, 14, 10, 13, 8, 17, 18, 15, 19, 2, 20, 6, 7, 1, 9, 16, 21] by [ 1.457 -0.568 2.162] angstrom in the cif file. | data_image0
_chemical_formula_structural O24
_chemical_formula_sum "O24"
_cell_length_a 6.65259782
_cell_length_b 6.76810209
_cell_length_c 7.45043691
_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_nu... | data_image0
_chemical_formula_structural O24
_chemical_formula_sum "O24"
_cell_length_a 6.65259782
_cell_length_b 6.76810209
_cell_length_c 7.45043691
_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_nu... |
MoveSelectedAtomsAction | b4f364a6-9517-4784-9d70-0d4ae14ba6f0 | mp-1103985 | Move atoms at indices [12, 4, 8, 1, 11, 13, 10, 0, 6, 9, 3, 14] by [ 0.367 -0.962 2.826] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd9Pt6
_chemical_formula_sum "Nd9 Pt6"
_cell_length_a 7.70172695
_cell_length_b 7.701915030000001
_cell_length_c 7.701846680000001
_cell_angle_alpha 71.39027492
_cell_angle_beta 71.38926960999999
_cell_angle_gamma 71.38940419999999
... | data_image0
_chemical_formula_structural Nd9Pt6
_chemical_formula_sum "Nd9 Pt6"
_cell_length_a 7.70172695
_cell_length_b 7.701915030000001
_cell_length_c 7.701846680000001
_cell_angle_alpha 71.39027492
_cell_angle_beta 71.38926960999999
_cell_angle_gamma 71.38940419999999
... |
MoveSelectedAtomsAction | 1fdd47fc-ae1e-4a04-9631-aa403d61e767 | mp-1215754 | Move atoms at indices [3, 7, 15, 1, 0] by [ 1.323 -0.32 1.465] 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 | 479f2977-c1d8-401b-9c67-43243a316886 | mp-1096432 | Move atoms at indices [55, 4, 9, 71, 26, 24, 7, 27, 34, 52, 10, 61, 0, 14, 60, 56, 37, 5, 33, 17, 13, 51, 58, 23, 57, 39, 66, 64, 1, 11, 59, 36, 68, 29, 43, 45] by [-0.599 1.388 -3.032] angstrom in the cif file. | data_image0
_chemical_formula_structural Ce24Se48
_chemical_formula_sum "Ce24 Se48"
_cell_length_a 16.69883571
_cell_length_b 16.69883571
_cell_length_c 16.69883571
_cell_angle_alpha 109.47122039
_cell_angle_beta 109.47122076
_cell_angle_gamma 109.47122076
_space_group_na... | data_image0
_chemical_formula_structural Ce24Se48
_chemical_formula_sum "Ce24 Se48"
_cell_length_a 16.69883571
_cell_length_b 16.69883571
_cell_length_c 16.69883571
_cell_angle_alpha 109.47122039
_cell_angle_beta 109.47122076
_cell_angle_gamma 109.47122076
_space_group_na... |
MoveSelectedAtomsAction | d73ef05a-8012-4bd8-a3e4-2f9f7f384db9 | mp-1098369 | Move atoms at indices [22, 58, 6, 9, 61, 26, 14, 51, 32, 60, 11, 5, 27, 46, 33, 25, 52, 48, 53, 40, 10, 24, 29, 41, 59, 42, 50, 35, 15, 49, 4, 43, 1, 63, 31, 44, 17, 23, 13, 62, 18, 19, 37, 28, 12, 2, 39, 56, 0, 8, 30, 38, 36, 7, 45, 21, 55, 20, 47, 16, 3, 57] by [-1.12 1.787 1.25 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg30TiCrO32
_chemical_formula_sum "Mg30 Ti1 Cr1 O32"
_cell_length_a 8.596304
_cell_length_b 8.514833
_cell_length_c 8.514833
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Mg30TiCrO32
_chemical_formula_sum "Mg30 Ti1 Cr1 O32"
_cell_length_a 8.596304
_cell_length_b 8.514833
_cell_length_c 8.514833
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveSelectedAtomsAction | 2adcb035-2a00-4633-b129-6dd1f29e168e | mp-2229629 | Move atoms at indices [4, 12] by [ 0.045 2.17 -2.916] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2MgNb2Cu4S8
_chemical_formula_sum "Na2 Mg1 Nb2 Cu4 S8"
_cell_length_a 5.68901859
_cell_length_b 7.71768654
_cell_length_c 9.74954143
_cell_angle_alpha 90.59259283
_cell_angle_beta 106.96324873
_cell_angle_gamma 90.00000094
_space... | data_image0
_chemical_formula_structural Na2MgNb2Cu4S8
_chemical_formula_sum "Na2 Mg1 Nb2 Cu4 S8"
_cell_length_a 5.68901859
_cell_length_b 7.71768654
_cell_length_c 9.74954143
_cell_angle_alpha 90.59259283
_cell_angle_beta 106.96324873
_cell_angle_gamma 90.00000094
_space... |
MoveSelectedAtomsAction | 5b54fc48-204a-4401-bae2-167ab3d74cc7 | mp-652326 | Move atoms at indices [31, 20, 15, 7, 40, 22, 36, 14, 18, 35, 5, 13, 25, 3, 26, 33, 19, 24, 27, 45, 28, 8, 6, 32, 10, 9, 41, 39, 37, 29, 21, 11, 2, 43, 17, 42, 34, 30, 38, 4, 16, 1] by [-0.231 -1.791 1.02 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe6C18S4O18
_chemical_formula_sum "Fe6 C18 S4 O18"
_cell_length_a 6.886245
_cell_length_b 9.21092479
_cell_length_c 13.18122565
_cell_angle_alpha 93.98866673999999
_cell_angle_beta 94.12941676
_cell_angle_gamma 111.17747912
_space_... | data_image0
_chemical_formula_structural Fe6C18S4O18
_chemical_formula_sum "Fe6 C18 S4 O18"
_cell_length_a 6.886245
_cell_length_b 9.21092479
_cell_length_c 13.18122565
_cell_angle_alpha 93.98866673999999
_cell_angle_beta 94.12941676
_cell_angle_gamma 111.17747912
_space_... |
MoveSelectedAtomsAction | e253ddc2-6ea0-4f53-ade4-0243e9da7743 | mp-1520090 | Move atoms at indices [12, 8, 3, 16, 14, 17, 9, 1, 5, 2, 10, 11, 0, 15] by [ 0.108 -2.895 -1.764] angstrom in the cif file. | data_image0
_chemical_formula_structural LiLaFe4O12
_chemical_formula_sum "Li1 La1 Fe4 O12"
_cell_length_a 5.25865836
_cell_length_b 5.25865836
_cell_length_c 7.74007929
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 91.18608768000001
_space_group_name_H-M... | data_image0
_chemical_formula_structural LiLaFe4O12
_chemical_formula_sum "Li1 La1 Fe4 O12"
_cell_length_a 5.25865836
_cell_length_b 5.25865836
_cell_length_c 7.74007929
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 91.18608768000001
_space_group_name_H-M... |
MoveSelectedAtomsAction | 0abbe325-9ead-4674-b866-79674fa4329d | mp-760196 | Move atoms at indices [43, 28, 46, 34, 14, 44, 31, 8, 25, 11, 1, 10, 39, 30, 36, 17, 5, 45, 9, 19, 24] by [ 5.33 -0.066 -0.197] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr8O8F32
_chemical_formula_sum "Cr8 O8 F32"
_cell_length_a 16.88848
_cell_length_b 5.548289
_cell_length_c 8.06305272
_cell_angle_alpha 89.13883818
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Cr8O8F32
_chemical_formula_sum "Cr8 O8 F32"
_cell_length_a 16.88848
_cell_length_b 5.548289
_cell_length_c 8.06305272
_cell_angle_alpha 89.13883818
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveSelectedAtomsAction | b4c2b720-34b5-4fe8-8a85-fca86335b85a | mp-768946 | Move atoms at indices [25, 18, 4, 5, 2, 28, 24, 27, 12, 15, 26, 29, 3, 13, 14, 22, 11, 7, 8, 19, 17, 9, 20, 0, 16, 31, 10, 23, 30, 21, 6, 1] by [-1.571 3.911 2.247] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Cr6Co2O16
_chemical_formula_sum "Li8 Cr6 Co2 O16"
_cell_length_a 5.08422505
_cell_length_b 10.24775626
_cell_length_c 5.87238314
_cell_angle_alpha 73.37294484
_cell_angle_beta 90.01373118
_cell_angle_gamma 80.49168511
_space_gro... | data_image0
_chemical_formula_structural Li8Cr6Co2O16
_chemical_formula_sum "Li8 Cr6 Co2 O16"
_cell_length_a 5.08422505
_cell_length_b 10.24775626
_cell_length_c 5.87238314
_cell_angle_alpha 73.37294484
_cell_angle_beta 90.01373118
_cell_angle_gamma 80.49168511
_space_gro... |
MoveSelectedAtomsAction | 9b88d74b-610a-42f2-a50c-11ffa84933c4 | mp-558325 | Move atoms at indices [2, 0, 16, 22, 10, 18] by [ 1.355 -1.345 0.01 ] angstrom in the cif file. | data_image0
_chemical_formula_structural K2YNb5O15
_chemical_formula_sum "K2 Y1 Nb5 O15"
_cell_length_a 9.35185659
_cell_length_b 9.351856590000002
_cell_length_c 3.975101
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 111.88706881
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural K2YNb5O15
_chemical_formula_sum "K2 Y1 Nb5 O15"
_cell_length_a 9.35185659
_cell_length_b 9.351856590000002
_cell_length_c 3.975101
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 111.88706881
_space_group_name_H-M_al... |
MoveSelectedAtomsAction | 51b3590e-1057-427c-8cb3-3425b9762a23 | mp-1029063 | Move atoms at indices [0, 8, 9, 7, 3, 10, 5, 2, 6] by [ 1.281 -0.895 -1.009] angstrom in the cif file. | data_image0
_chemical_formula_structural Te2Mo2W2Se2S4
_chemical_formula_sum "Te2 Mo2 W2 Se2 S4"
_cell_length_a 3.30870784
_cell_length_b 3.3087078400000003
_cell_length_c 37.645413
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999685
_space_group_n... | data_image0
_chemical_formula_structural Te2Mo2W2Se2S4
_chemical_formula_sum "Te2 Mo2 W2 Se2 S4"
_cell_length_a 3.30870784
_cell_length_b 3.3087078400000003
_cell_length_c 37.645413
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999685
_space_group_n... |
MoveSelectedAtomsAction | 870327a8-6d02-4576-a895-5be41e200b4c | mp-22850 | Move atoms at indices [15, 3, 10, 9, 2, 5, 8, 14, 0, 4, 12] by [-0.707 -0.404 0.008] angstrom in the cif file. | data_image0
_chemical_formula_structural Ru4Cl12
_chemical_formula_sum "Ru4 Cl12"
_cell_length_a 5.67615011
_cell_length_b 6.23663128
_cell_length_c 10.767188719999998
_cell_angle_alpha 89.99988935
_cell_angle_beta 89.99997873999999
_cell_angle_gamma 90.16930695
_space_gr... | data_image0
_chemical_formula_structural Ru4Cl12
_chemical_formula_sum "Ru4 Cl12"
_cell_length_a 5.67615011
_cell_length_b 6.23663128
_cell_length_c 10.767188719999998
_cell_angle_alpha 89.99988935
_cell_angle_beta 89.99997873999999
_cell_angle_gamma 90.16930695
_space_gr... |
MoveSelectedAtomsAction | e529efaf-9857-40f6-89a5-9e2c3625aaed | mp-674343 | Move atoms at indices [15, 16, 23, 26, 17, 33, 6, 5, 11, 1, 36, 13, 35, 10, 20, 7, 31, 29, 18, 27, 3, 19, 0, 21, 24, 30, 12, 22, 28] by [-0.816 -0.309 -4.343] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti10Cu7S20
_chemical_formula_sum "Ti10 Cu7 S20"
_cell_length_a 6.66552105
_cell_length_b 6.66552105
_cell_length_c 29.648604719999998
_cell_angle_alpha 81.87447903999998
_cell_angle_beta 81.87447903999998
_cell_angle_gamma 29.905861... | data_image0
_chemical_formula_structural Ti10Cu7S20
_chemical_formula_sum "Ti10 Cu7 S20"
_cell_length_a 6.66552105
_cell_length_b 6.66552105
_cell_length_c 29.648604719999998
_cell_angle_alpha 81.87447903999998
_cell_angle_beta 81.87447903999998
_cell_angle_gamma 29.905861... |
MoveSelectedAtomsAction | 0eb064fc-3d9c-4452-934c-b50f86ad42f8 | mp-1112428 | Move atoms at indices [3] by [ 0.472 0.494 -0.625] angstrom in the cif file. | data_image0
_chemical_formula_structural K2EuAuCl6
_chemical_formula_sum "K2 Eu1 Au1 Cl6"
_cell_length_a 7.631531
_cell_length_b 7.6315315
_cell_length_c 7.6315312099999995
_cell_angle_alpha 59.999999790000004
_cell_angle_beta 59.99999656
_cell_angle_gamma 59.99999782
_sp... | data_image0
_chemical_formula_structural K2EuAuCl6
_chemical_formula_sum "K2 Eu1 Au1 Cl6"
_cell_length_a 7.631531
_cell_length_b 7.6315315
_cell_length_c 7.6315312099999995
_cell_angle_alpha 59.999999790000004
_cell_angle_beta 59.99999656
_cell_angle_gamma 59.99999782
_sp... |
MoveSelectedAtomsAction | aea46370-6ad4-419a-a223-4081417950fa | mp-752482 | Move atoms at indices [26, 2, 14, 22, 23, 5, 17, 24, 15, 7, 12, 1, 0, 21, 11, 8, 20, 19, 25, 27, 6, 16] by [0.766 0.678 3.191] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2V6F20
_chemical_formula_sum "Li2 V6 F20"
_cell_length_a 6.564161
_cell_length_b 7.45816
_cell_length_c 7.88365
_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_I... | data_image0
_chemical_formula_structural Li2V6F20
_chemical_formula_sum "Li2 V6 F20"
_cell_length_a 6.564161
_cell_length_b 7.45816
_cell_length_c 7.88365
_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_I... |
MoveSelectedAtomsAction | e529e941-0222-4bbf-b72f-5ec2fc9b35b6 | mp-1227253 | Move atoms at indices [25, 8, 35, 6, 14, 19, 4, 9, 16, 20, 31, 34, 5, 0, 30, 1, 22, 18, 23, 11, 13, 17, 27, 26, 21, 28, 2, 29, 7, 12, 15, 10, 33, 3, 32] by [ 5.333 -0.589 -0.359] angstrom in the cif file. | data_image0
_chemical_formula_structural CaU3Ti8O24
_chemical_formula_sum "Ca1 U3 Ti8 O24"
_cell_length_a 7.50474
_cell_length_b 7.85782394
_cell_length_c 8.45750307
_cell_angle_alpha 98.93237861
_cell_angle_beta 111.53004347
_cell_angle_gamma 94.83442283
_space_group_nam... | data_image0
_chemical_formula_structural CaU3Ti8O24
_chemical_formula_sum "Ca1 U3 Ti8 O24"
_cell_length_a 7.50474
_cell_length_b 7.85782394
_cell_length_c 8.45750307
_cell_angle_alpha 98.93237861
_cell_angle_beta 111.53004347
_cell_angle_gamma 94.83442283
_space_group_nam... |
MoveSelectedAtomsAction | 86e2d745-883b-42a9-b782-7d9119ebbfaa | mp-1523147 | Move atoms at indices [3, 4, 1, 8, 6, 9, 7, 5] by [ 1.101 -2.257 -0.11 ] 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 | 4b541fe1-64bc-464c-8dfc-2433d4aefffe | mp-755164 | Move atoms at indices [7, 15, 8, 11, 2, 6, 5, 17, 0, 3] by [ 0.125 -0.718 -3.465] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn6O11F
_chemical_formula_sum "Mn6 O11 F1"
_cell_length_a 4.51288657
_cell_length_b 4.51288657
_cell_length_c 8.974585
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.80731326
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Mn6O11F
_chemical_formula_sum "Mn6 O11 F1"
_cell_length_a 4.51288657
_cell_length_b 4.51288657
_cell_length_c 8.974585
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.80731326
_space_group_name_H-M_alt "P 1"
_s... |
MoveSelectedAtomsAction | 12ded6fb-b1e3-4269-9536-ec939f5ec6ce | mp-754147 | Move atoms at indices [6, 5, 17, 11, 15, 9, 13, 8, 12] by [-4.61 -3.897 -0.504] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Ti2Co4O10
_chemical_formula_sum "Li4 Ti2 Co4 O10"
_cell_length_a 5.234374
_cell_length_b 5.25686923
_cell_length_c 7.757459950000001
_cell_angle_alpha 82.4242968
_cell_angle_beta 70.53341686
_cell_angle_gamma 67.69116933
_space_... | data_image0
_chemical_formula_structural Li4Ti2Co4O10
_chemical_formula_sum "Li4 Ti2 Co4 O10"
_cell_length_a 5.234374
_cell_length_b 5.25686923
_cell_length_c 7.757459950000001
_cell_angle_alpha 82.4242968
_cell_angle_beta 70.53341686
_cell_angle_gamma 67.69116933
_space_... |
MoveSelectedAtomsAction | eb433f49-1431-48db-99dd-76d98143a6f2 | mp-1324601 | Move atoms at indices [4, 26, 59, 10, 48, 72, 56, 61, 0, 69, 7, 68, 75, 35, 13, 21, 45, 63, 17, 43, 41, 55, 24, 44, 39, 74, 25, 66, 76, 40, 53, 37, 49, 64, 31, 16, 5, 2] by [-0.128 2.979 -4.875] angstrom in the cif file. | data_image0
_chemical_formula_structural Zn12Si12Ag8O48
_chemical_formula_sum "Zn12 Si12 Ag8 O48"
_cell_length_a 10.43844495
_cell_length_b 10.43844495
_cell_length_c 10.43844495
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_... | data_image0
_chemical_formula_structural Zn12Si12Ag8O48
_chemical_formula_sum "Zn12 Si12 Ag8 O48"
_cell_length_a 10.43844495
_cell_length_b 10.43844495
_cell_length_c 10.43844495
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_... |
MoveSelectedAtomsAction | 6d53d24c-4eb0-4af0-b72d-e18f310cd341 | mp-1174913 | Move atoms at indices [21, 17, 10, 1, 23, 13, 9, 7, 12, 5, 6, 19, 3, 14, 4, 20, 16, 11, 18] by [-2.314 -0.441 -0.109] angstrom in the cif file. | data_image0
_chemical_formula_structural Li7Mn2Co3O12
_chemical_formula_sum "Li7 Mn2 Co3 O12"
_cell_length_a 3.002881
_cell_length_b 5.00158641
_cell_length_c 14.49906578
_cell_angle_alpha 87.66424674
_cell_angle_beta 87.62843672
_cell_angle_gamma 86.936342
_space_group_n... | data_image0
_chemical_formula_structural Li7Mn2Co3O12
_chemical_formula_sum "Li7 Mn2 Co3 O12"
_cell_length_a 3.002881
_cell_length_b 5.00158641
_cell_length_c 14.49906578
_cell_angle_alpha 87.66424674
_cell_angle_beta 87.62843672
_cell_angle_gamma 86.936342
_space_group_n... |
MoveSelectedAtomsAction | 74e0e49e-e4e9-4b4c-9184-5bc1b03be87c | mp-18753 | Move atoms at indices [6, 2, 5, 4, 1, 3, 7, 9] by [4.149 1.604 0.548] angstrom in the cif file. | data_image0
_chemical_formula_structural Na3MoO3F3
_chemical_formula_sum "Na3 Mo1 O3 F3"
_cell_length_a 5.80614613
_cell_length_b 5.80614595
_cell_length_c 5.80614606
_cell_angle_alpha 57.29251827000001
_cell_angle_beta 57.29251842000001
_cell_angle_gamma 57.2925149
_spac... | data_image0
_chemical_formula_structural Na3MoO3F3
_chemical_formula_sum "Na3 Mo1 O3 F3"
_cell_length_a 5.80614613
_cell_length_b 5.80614595
_cell_length_c 5.80614606
_cell_angle_alpha 57.29251827000001
_cell_angle_beta 57.29251842000001
_cell_angle_gamma 57.2925149
_spac... |
MoveSelectedAtomsAction | 7b58da13-7578-49a7-8687-f979a2090325 | mp-2217709 | Move atoms at indices [2, 8, 9, 0, 5, 6, 4, 1, 10] by [1.419 2.071 1.8 ] angstrom in the cif file. | data_image0
_chemical_formula_structural MgTiZnBi2O6
_chemical_formula_sum "Mg1 Ti1 Zn1 Bi2 O6"
_cell_length_a 5.58067916
_cell_length_b 5.58067916
_cell_length_c 6.72851355
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 109.16416929
_space_group_name_H-M_... | data_image0
_chemical_formula_structural MgTiZnBi2O6
_chemical_formula_sum "Mg1 Ti1 Zn1 Bi2 O6"
_cell_length_a 5.58067916
_cell_length_b 5.58067916
_cell_length_c 6.72851355
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 109.16416929
_space_group_name_H-M_... |
MoveSelectedAtomsAction | f2c061f1-757a-4f28-9830-d5c3a95a2820 | mp-1233110 | Move atoms at indices [4, 6, 18, 11, 16] by [-1.183 -1.553 -1.272] angstrom in the cif file. | data_image0
_chemical_formula_structural MgMn9CdO10
_chemical_formula_sum "Mg1 Mn9 Cd1 O10"
_cell_length_a 5.80873043
_cell_length_b 8.968757620000002
_cell_length_c 5.983389520000001
_cell_angle_alpha 70.53888601
_cell_angle_beta 112.17279914
_cell_angle_gamma 97.07694034... | data_image0
_chemical_formula_structural MgMn9CdO10
_chemical_formula_sum "Mg1 Mn9 Cd1 O10"
_cell_length_a 5.80873043
_cell_length_b 8.968757620000002
_cell_length_c 5.983389520000001
_cell_angle_alpha 70.53888601
_cell_angle_beta 112.17279914
_cell_angle_gamma 97.07694034... |
MoveSelectedAtomsAction | 4ebd13c5-bc76-4c30-a03a-53857e260283 | mp-757037 | Move atoms at indices [23, 15, 18, 25, 17, 14, 4, 1, 5, 9, 6, 20, 12, 10, 2, 3, 7, 16, 24, 0, 8, 11, 21] by [-4.455 1.085 3.542] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Fe2Si6O16
_chemical_formula_sum "Li2 Fe2 Si6 O16"
_cell_length_a 7.69853798
_cell_length_b 7.6999349
_cell_length_c 7.11054289
_cell_angle_alpha 83.24422392999999
_cell_angle_beta 109.30920088
_cell_angle_gamma 62.324731889999995... | data_image0
_chemical_formula_structural Li2Fe2Si6O16
_chemical_formula_sum "Li2 Fe2 Si6 O16"
_cell_length_a 7.69853798
_cell_length_b 7.6999349
_cell_length_c 7.11054289
_cell_angle_alpha 83.24422392999999
_cell_angle_beta 109.30920088
_cell_angle_gamma 62.324731889999995... |
MoveSelectedAtomsAction | 6622436e-c082-4395-aa71-b1edf5967e14 | mp-768442 | Move atoms at indices [14, 35, 24, 13, 29, 11, 8, 30, 26, 3, 2, 10, 4, 32, 31, 17, 5, 16, 27, 25, 18, 19, 1, 22, 33, 23, 20, 34, 12, 21, 6, 15, 28, 0, 9, 7] by [-1.492 3.118 0.955] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn4B8O20
_chemical_formula_sum "Li4 Mn4 B8 O20"
_cell_length_a 9.305121
_cell_length_b 6.053043
_cell_length_c 6.89281067
_cell_angle_alpha 75.55919999000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Li4Mn4B8O20
_chemical_formula_sum "Li4 Mn4 B8 O20"
_cell_length_a 9.305121
_cell_length_b 6.053043
_cell_length_c 6.89281067
_cell_angle_alpha 75.55919999000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveSelectedAtomsAction | 0b18ea30-9ecf-4c56-bf8d-68ae91bb4165 | mp-1310084 | Move atoms at indices [8, 3] by [-0.025 -0.139 -1.471] angstrom in the cif file. | data_image0
_chemical_formula_structural Co4O2F6
_chemical_formula_sum "Co4 O2 F6"
_cell_length_a 4.71264131
_cell_length_b 4.71287246
_cell_length_c 6.20358889
_cell_angle_alpha 90.83207726
_cell_angle_beta 90.83016418000001
_cell_angle_gamma 93.22177824999999
_space_gro... | data_image0
_chemical_formula_structural Co4O2F6
_chemical_formula_sum "Co4 O2 F6"
_cell_length_a 4.71264131
_cell_length_b 4.71287246
_cell_length_c 6.20358889
_cell_angle_alpha 90.83207726
_cell_angle_beta 90.83016418000001
_cell_angle_gamma 93.22177824999999
_space_gro... |
MoveSelectedAtomsAction | a125d9d9-7a6a-45ca-96e7-f68dd6c937f3 | mp-1208575 | Move atoms at indices [22, 3, 14, 27, 12, 20, 8, 9, 18, 16, 26, 1, 7, 30, 13, 15, 24, 28, 6, 0] by [ 0.411 0.521 -0.789] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb2Cl6O24
_chemical_formula_sum "Tb2 Cl6 O24"
_cell_length_a 9.40842427
_cell_length_b 9.40841325
_cell_length_c 5.5784382
_cell_angle_alpha 89.99994258999999
_cell_angle_beta 90.00005791
_cell_angle_gamma 120.00012651000002
_space... | data_image0
_chemical_formula_structural Tb2Cl6O24
_chemical_formula_sum "Tb2 Cl6 O24"
_cell_length_a 9.40842427
_cell_length_b 9.40841325
_cell_length_c 5.5784382
_cell_angle_alpha 89.99994258999999
_cell_angle_beta 90.00005791
_cell_angle_gamma 120.00012651000002
_space... |
MoveSelectedAtomsAction | 511a620f-38a9-40dd-b6da-d7abfce37772 | mp-554501 | Move atoms at indices [13, 47, 29, 4, 33, 14, 23] by [-0.825 -0.243 -2.664] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba10Os6Cl2O30
_chemical_formula_sum "Ba10 Os6 Cl2 O30"
_cell_length_a 11.11547635
_cell_length_b 11.11547635
_cell_length_c 7.974835
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000211
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ba10Os6Cl2O30
_chemical_formula_sum "Ba10 Os6 Cl2 O30"
_cell_length_a 11.11547635
_cell_length_b 11.11547635
_cell_length_c 7.974835
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000211
_space_group_name_H-M_... |
MoveSelectedAtomsAction | c43e0c37-f3ed-427f-b783-c01c12b58544 | mp-647450 | Move atoms at indices [57, 23, 48, 16, 13, 2, 18, 44, 45, 32, 53, 50, 5, 46, 20, 30, 28, 59, 0, 17, 33, 26, 51, 35, 31, 55, 52, 34, 11, 39, 47, 15, 56, 10, 29, 3, 37, 42, 24, 41, 9, 36, 21, 1, 58, 6, 25, 19, 54, 8, 27, 22, 40, 49, 43, 38, 14, 12, 7] by [-1.474 0.163 1.367] angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Ca8Ti4Si8O32F4
_chemical_formula_sum "Na4 Ca8 Ti4 Si8 O32 F4"
_cell_length_a 5.804294
_cell_length_b 7.60714591
_cell_length_c 19.27502629
_cell_angle_alpha 101.30828057000001
_cell_angle_beta 90.28643214
_cell_angle_gamma 89.971... | data_image0
_chemical_formula_structural Na4Ca8Ti4Si8O32F4
_chemical_formula_sum "Na4 Ca8 Ti4 Si8 O32 F4"
_cell_length_a 5.804294
_cell_length_b 7.60714591
_cell_length_c 19.27502629
_cell_angle_alpha 101.30828057000001
_cell_angle_beta 90.28643214
_cell_angle_gamma 89.971... |
MoveSelectedAtomsAction | 898541d7-bb38-4dcf-a294-2875f537f36c | mp-1078304 | Move atoms at indices [3, 7, 0, 1, 5] by [ 2.915 -0.011 1.315] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Al2Pd4
_chemical_formula_sum "Ca4 Al2 Pd4"
_cell_length_a 5.7552724
_cell_length_b 5.7552724
_cell_length_c 7.739874039999999
_cell_angle_alpha 79.29396929
_cell_angle_beta 79.29396929
_cell_angle_gamma 60.17454648000001
_space_... | data_image0
_chemical_formula_structural Ca4Al2Pd4
_chemical_formula_sum "Ca4 Al2 Pd4"
_cell_length_a 5.7552724
_cell_length_b 5.7552724
_cell_length_c 7.739874039999999
_cell_angle_alpha 79.29396929
_cell_angle_beta 79.29396929
_cell_angle_gamma 60.17454648000001
_space_... |
MoveSelectedAtomsAction | 426befd8-1afb-460e-afe5-5b21eef849f2 | mp-1101787 | Move atoms at indices [11, 1, 0, 10, 8, 6, 5, 3, 7, 9] by [-2.219 -1.686 -0.651] angstrom in the cif file. | data_image0
_chemical_formula_structural La2Si10
_chemical_formula_sum "La2 Si10"
_cell_length_a 7.8028555
_cell_length_b 7.8028555
_cell_length_c 8.434587650000001
_cell_angle_alpha 72.19401657999998
_cell_angle_beta 72.19401657999998
_cell_angle_gamma 29.62230927999999
... | data_image0
_chemical_formula_structural La2Si10
_chemical_formula_sum "La2 Si10"
_cell_length_a 7.8028555
_cell_length_b 7.8028555
_cell_length_c 8.434587650000001
_cell_angle_alpha 72.19401657999998
_cell_angle_beta 72.19401657999998
_cell_angle_gamma 29.62230927999999
... |
MoveSelectedAtomsAction | 9137f65e-f2af-47b4-accf-afb51e165738 | mp-1220847 | Move atoms at indices [24, 13, 5, 3, 22, 27, 0, 25, 4, 8, 19, 21, 12, 6, 29, 26, 1, 10, 11, 23, 30, 14, 28, 18, 7, 16, 20, 17] by [4.241 1.613 1.642] angstrom in the cif file. | data_image0
_chemical_formula_structural Na6Sm4Ge4Se17
_chemical_formula_sum "Na6 Sm4 Ge4 Se17"
_cell_length_a 12.81247054
_cell_length_b 12.81247054
_cell_length_c 6.99168961
_cell_angle_alpha 78.20347702
_cell_angle_beta 78.20347702
_cell_angle_gamma 51.53427954000001
_... | data_image0
_chemical_formula_structural Na6Sm4Ge4Se17
_chemical_formula_sum "Na6 Sm4 Ge4 Se17"
_cell_length_a 12.81247054
_cell_length_b 12.81247054
_cell_length_c 6.99168961
_cell_angle_alpha 78.20347702
_cell_angle_beta 78.20347702
_cell_angle_gamma 51.53427954000001
_... |
MoveSelectedAtomsAction | 1d99a8ec-3dff-4c8b-87ae-280d36dd68ac | mp-1214585 | Move atoms at indices [0, 8, 4, 2, 11, 9, 10, 7, 1, 6] by [ 2.466 -1.909 0.493] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2PrCu3O6
_chemical_formula_sum "Ba2 Pr1 Cu3 O6"
_cell_length_a 3.927893
_cell_length_b 3.927893
_cell_length_c 12.23912
_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 Ba2PrCu3O6
_chemical_formula_sum "Ba2 Pr1 Cu3 O6"
_cell_length_a 3.927893
_cell_length_b 3.927893
_cell_length_c 12.23912
_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 | 000016e7-5e42-489a-9333-3a87c95dbba4 | mp-756100 | Move atoms at indices [2, 11, 4, 5, 9, 7] by [ 2.544 -0.318 -0.139] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Fe2F8
_chemical_formula_sum "Li2 Fe2 F8"
_cell_length_a 6.05218545
_cell_length_b 6.05218545
_cell_length_c 5.32375247
_cell_angle_alpha 87.10378728000002
_cell_angle_beta 87.10378728000002
_cell_angle_gamma 55.89357918
_space_g... | data_image0
_chemical_formula_structural Li2Fe2F8
_chemical_formula_sum "Li2 Fe2 F8"
_cell_length_a 6.05218545
_cell_length_b 6.05218545
_cell_length_c 5.32375247
_cell_angle_alpha 87.10378728000002
_cell_angle_beta 87.10378728000002
_cell_angle_gamma 55.89357918
_space_g... |
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