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 | 481f9235-1ef3-4ca7-b1df-e131d6c723e6 | mp-1403373 | Move atoms at indices [1, 6] by [-1.686 0.615 1.884] angstrom in the cif file. | data_image0
_chemical_formula_structural La2ZnSbO6
_chemical_formula_sum "La2 Zn1 Sb1 O6"
_cell_length_a 5.77686642
_cell_length_b 5.77686642
_cell_length_c 5.776866339999999
_cell_angle_alpha 61.07135203000001
_cell_angle_beta 61.07135203000001
_cell_angle_gamma 61.071350... | data_image0
_chemical_formula_structural La2ZnSbO6
_chemical_formula_sum "La2 Zn1 Sb1 O6"
_cell_length_a 5.77686642
_cell_length_b 5.77686642
_cell_length_c 5.776866339999999
_cell_angle_alpha 61.07135203000001
_cell_angle_beta 61.07135203000001
_cell_angle_gamma 61.071350... |
MoveSelectedAtomsAction | 71f0a8dc-31af-46fa-9b0c-515881f871e1 | mp-1517143 | Move atoms at indices [16, 2, 1, 6, 8, 5, 15, 4, 11, 12, 3, 7, 17, 18, 0, 9, 19, 10, 13] by [-2.761 -2.287 1.607] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2Nd2Eu2Sb2O12
_chemical_formula_sum "Ca2 Nd2 Eu2 Sb2 O12"
_cell_length_a 5.80313197
_cell_length_b 5.97664008
_cell_length_c 8.35689443
_cell_angle_alpha 89.58348116000002
_cell_angle_beta 90.56943828000001
_cell_angle_gamma 89.91... | data_image0
_chemical_formula_structural Ca2Nd2Eu2Sb2O12
_chemical_formula_sum "Ca2 Nd2 Eu2 Sb2 O12"
_cell_length_a 5.80313197
_cell_length_b 5.97664008
_cell_length_c 8.35689443
_cell_angle_alpha 89.58348116000002
_cell_angle_beta 90.56943828000001
_cell_angle_gamma 89.91... |
MoveSelectedAtomsAction | d0ad452e-be54-4c16-9c02-908259741bda | mp-752925 | Move atoms at indices [0, 1, 12, 9, 3, 11] by [-2.221 3.087 2.07 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Fe2Si2O8
_chemical_formula_sum "Li2 Fe2 Si2 O8"
_cell_length_a 4.539481
_cell_length_b 8.599942
_cell_length_c 4.539481999999999
_cell_angle_alpha 90.00000666000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.00000666000001
_spac... | data_image0
_chemical_formula_structural Li2Fe2Si2O8
_chemical_formula_sum "Li2 Fe2 Si2 O8"
_cell_length_a 4.539481
_cell_length_b 8.599942
_cell_length_c 4.539481999999999
_cell_angle_alpha 90.00000666000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.00000666000001
_spac... |
MoveSelectedAtomsAction | 41428eea-59fb-4416-8d95-72236da77f84 | mp-27013 | Move atoms at indices [85, 25, 2, 96, 12, 49, 43, 16, 71, 55, 54, 60, 89, 6, 78, 45, 61, 91, 68, 23, 65, 53, 87, 28, 37, 75, 15, 11, 10, 58, 21, 82, 72, 57, 50, 30, 73, 41, 9, 64, 7, 17, 20, 31, 59, 94, 46, 8, 70, 84, 76, 13, 42, 90, 74, 24, 66, 33, 40, 56, 47, 95, 3, 22, 19, 44, 88, 18, 26, 36, 62, 92, 0, 67] by [-2.2... | data_image0
_chemical_formula_structural Li18V6P16O58
_chemical_formula_sum "Li18 V6 P16 O58"
_cell_length_a 9.88202638
_cell_length_b 9.882026380000001
_cell_length_c 13.812827
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000257
_space_group_name_... | data_image0
_chemical_formula_structural Li18V6P16O58
_chemical_formula_sum "Li18 V6 P16 O58"
_cell_length_a 9.88202638
_cell_length_b 9.882026380000001
_cell_length_c 13.812827
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000257
_space_group_name_... |
MoveSelectedAtomsAction | 1f25ec93-a40e-4e2f-9ea0-10bbe141ce31 | mp-504385 | Move atoms at indices [52, 74, 43, 1, 69, 18, 10, 34, 42, 60, 77, 5, 25, 79, 35, 26, 41, 2, 27, 71] by [-2.21 2.19 1.437] angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Fe8P12O48
_chemical_formula_sum "Li12 Fe8 P12 O48"
_cell_length_a 8.799042
_cell_length_b 8.471914
_cell_length_c 12.30617389
_cell_angle_alpha 87.53286288
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li12Fe8P12O48
_chemical_formula_sum "Li12 Fe8 P12 O48"
_cell_length_a 8.799042
_cell_length_b 8.471914
_cell_length_c 12.30617389
_cell_angle_alpha 87.53286288
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 4e0693ca-0b3b-4222-b4dd-32eb6799adf1 | mp-1212483 | Move atoms at indices [43, 48, 26, 34, 55, 7, 27, 41, 15, 28, 49, 54, 14, 31, 29, 37, 36, 21, 33] by [ 1.059 -2.454 -1.262] 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 | 9e9a0f5a-1b5a-4f34-96e2-aa838e5bdc3d | mp-613 | Move atoms at indices [3, 0, 4, 8, 9, 5] by [ 1.99 4.144 -1.849] angstrom in the cif file. | data_image0
_chemical_formula_structural Te4Pd6
_chemical_formula_sum "Te4 Pd6"
_cell_length_a 3.89741014
_cell_length_b 6.672860370000001
_cell_length_c 7.98481739
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 106.97979929
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Te4Pd6
_chemical_formula_sum "Te4 Pd6"
_cell_length_a 3.89741014
_cell_length_b 6.672860370000001
_cell_length_c 7.98481739
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 106.97979929
_space_group_name_H-M_alt "P... |
MoveSelectedAtomsAction | 29e0c17d-390c-45ba-a9e9-8d02704f80f7 | mp-2217356 | Move atoms at indices [8, 5, 1, 6, 7, 4, 9] by [ 0.338 -2.055 1.853] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2YMgBiO6
_chemical_formula_sum "Ba2 Y1 Mg1 Bi1 O6"
_cell_length_a 6.33993301
_cell_length_b 6.339093429999999
_cell_length_c 7.05925237
_cell_angle_alpha 63.47899969000001
_cell_angle_beta 63.31715937
_cell_angle_gamma 59.99561646... | data_image0
_chemical_formula_structural Ba2YMgBiO6
_chemical_formula_sum "Ba2 Y1 Mg1 Bi1 O6"
_cell_length_a 6.33993301
_cell_length_b 6.339093429999999
_cell_length_c 7.05925237
_cell_angle_alpha 63.47899969000001
_cell_angle_beta 63.31715937
_cell_angle_gamma 59.99561646... |
MoveSelectedAtomsAction | 4f727e37-a171-4f67-a24b-0202a267060f | mp-1044828 | Move atoms at indices [21, 0, 10, 16, 3, 25, 31, 19, 37, 18, 35, 23, 39, 15, 28, 5, 24, 13, 6, 26, 38, 9, 40, 27, 7, 41, 11, 17, 29, 4, 12, 20, 22, 34, 32, 30] by [ 0.319 0.518 -1.377] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca6Sn12O24
_chemical_formula_sum "Ca6 Sn12 O24"
_cell_length_a 6.90739232
_cell_length_b 6.9073923200000005
_cell_length_c 16.91513194
_cell_angle_alpha 89.50690369
_cell_angle_beta 89.50690369
_cell_angle_gamma 56.98103381
_space_... | data_image0
_chemical_formula_structural Ca6Sn12O24
_chemical_formula_sum "Ca6 Sn12 O24"
_cell_length_a 6.90739232
_cell_length_b 6.9073923200000005
_cell_length_c 16.91513194
_cell_angle_alpha 89.50690369
_cell_angle_beta 89.50690369
_cell_angle_gamma 56.98103381
_space_... |
MoveSelectedAtomsAction | 3d13cd1c-ab91-4c9b-b66c-473bfe6e9030 | mp-2218385 | Move atoms at indices [6] by [-0.074 -0.373 0.843] angstrom in the cif file. | data_image0
_chemical_formula_structural MgMn4O4F4
_chemical_formula_sum "Mg1 Mn4 O4 F4"
_cell_length_a 5.23107775
_cell_length_b 6.15354861
_cell_length_c 5.17450402
_cell_angle_alpha 86.91425333000001
_cell_angle_beta 83.78431866
_cell_angle_gamma 80.50424442
_space_gro... | data_image0
_chemical_formula_structural MgMn4O4F4
_chemical_formula_sum "Mg1 Mn4 O4 F4"
_cell_length_a 5.23107775
_cell_length_b 6.15354861
_cell_length_c 5.17450402
_cell_angle_alpha 86.91425333000001
_cell_angle_beta 83.78431866
_cell_angle_gamma 80.50424442
_space_gro... |
MoveSelectedAtomsAction | 5cecf839-7171-4525-b98b-da40a634a0dd | mp-972121 | Move atoms at indices [8, 7, 3, 10, 6, 12, 11, 5, 4, 1, 9, 2, 0] by [ 0.772 -0.859 1.277] angstrom in the cif file. | data_image0
_chemical_formula_structural TmAl8Cr4
_chemical_formula_sum "Tm1 Al8 Cr4"
_cell_length_a 6.77139271
_cell_length_b 6.77139271
_cell_length_c 6.77139271
_cell_angle_alpha 97.9981911
_cell_angle_beta 97.9981911
_cell_angle_gamma 136.19636589999996
_space_group_n... | data_image0
_chemical_formula_structural TmAl8Cr4
_chemical_formula_sum "Tm1 Al8 Cr4"
_cell_length_a 6.77139271
_cell_length_b 6.77139271
_cell_length_c 6.77139271
_cell_angle_alpha 97.9981911
_cell_angle_beta 97.9981911
_cell_angle_gamma 136.19636589999996
_space_group_n... |
MoveSelectedAtomsAction | 01b96b01-5719-412b-b0dd-b0e33c6680fb | mp-720255 | Move atoms at indices [75, 8, 73, 23, 44, 0, 18, 61, 80, 52, 67, 76, 1, 40, 38, 20, 48, 51, 81, 25, 16, 72, 30, 12, 17, 79, 57, 77, 69, 28, 6, 65, 27, 5, 66, 7, 60, 29, 71, 47, 59, 19, 37, 45, 24, 34, 33] by [-0.164 2.739 -0.982] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr20P12ClO48F3
_chemical_formula_sum "Sr20 P12 Cl1 O48 F3"
_cell_length_a 7.359952
_cell_length_b 9.90469101
_cell_length_c 17.15408517
_cell_angle_alpha 90.00811632999998
_cell_angle_beta 90.00065799
_cell_angle_gamma 90.0023196699... | data_image0
_chemical_formula_structural Sr20P12ClO48F3
_chemical_formula_sum "Sr20 P12 Cl1 O48 F3"
_cell_length_a 7.359952
_cell_length_b 9.90469101
_cell_length_c 17.15408517
_cell_angle_alpha 90.00811632999998
_cell_angle_beta 90.00065799
_cell_angle_gamma 90.0023196699... |
MoveSelectedAtomsAction | 1351ed7c-553b-45b3-a2a9-eb9573da002e | mp-1210947 | Move atoms at indices [12, 7, 13, 14, 22, 1, 3, 10, 5, 23, 17, 20, 19, 15, 16, 4, 8, 9, 18, 2] by [ 1.329 -0.304 3.204] angstrom in the cif file. | data_image0
_chemical_formula_structural Lu2Ag2W4O16
_chemical_formula_sum "Lu2 Ag2 W4 O16"
_cell_length_a 7.30273406
_cell_length_b 7.302734059999999
_cell_length_c 7.27179264
_cell_angle_alpha 66.0465554
_cell_angle_beta 66.0465554
_cell_angle_gamma 94.31513562
_space_g... | data_image0
_chemical_formula_structural Lu2Ag2W4O16
_chemical_formula_sum "Lu2 Ag2 W4 O16"
_cell_length_a 7.30273406
_cell_length_b 7.302734059999999
_cell_length_c 7.27179264
_cell_angle_alpha 66.0465554
_cell_angle_beta 66.0465554
_cell_angle_gamma 94.31513562
_space_g... |
MoveSelectedAtomsAction | 9ddaa392-3ad2-4456-8f79-d258a3912c23 | mp-720430 | Move atoms at indices [10, 34, 13, 27, 24, 22, 15, 25, 2, 23, 31, 16, 17, 8, 20, 6, 32, 11, 1, 35, 7, 19, 30, 3, 28, 12] by [-1.014 1.411 5.072] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2B6H14O18
_chemical_formula_sum "Ca2 B6 H14 O18"
_cell_length_a 6.522119
_cell_length_b 6.67307652
_cell_length_c 8.43280527
_cell_angle_alpha 86.77136285
_cell_angle_beta 89.31108647
_cell_angle_gamma 78.21790026000001
_space_gr... | data_image0
_chemical_formula_structural Ca2B6H14O18
_chemical_formula_sum "Ca2 B6 H14 O18"
_cell_length_a 6.522119
_cell_length_b 6.67307652
_cell_length_c 8.43280527
_cell_angle_alpha 86.77136285
_cell_angle_beta 89.31108647
_cell_angle_gamma 78.21790026000001
_space_gr... |
MoveSelectedAtomsAction | db1f7356-2fc3-4b0d-9f85-d0d3a4881825 | mp-1194492 | Move atoms at indices [5, 3, 20, 6, 16, 11, 10, 2, 13, 9, 17, 4] by [0.808 1.99 0.191] angstrom in the cif file. | data_image0
_chemical_formula_structural Al4Te2S2O18
_chemical_formula_sum "Al4 Te2 S2 O18"
_cell_length_a 9.533672
_cell_length_b 5.032037
_cell_length_c 7.23496088
_cell_angle_alpha 86.72028688999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Al4Te2S2O18
_chemical_formula_sum "Al4 Te2 S2 O18"
_cell_length_a 9.533672
_cell_length_b 5.032037
_cell_length_c 7.23496088
_cell_angle_alpha 86.72028688999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveSelectedAtomsAction | 4ba9287b-ce37-43c9-9532-e76a01eb84dd | mp-1518832 | Move atoms at indices [34, 1, 7, 38, 29, 32, 10, 4, 8, 31, 24, 12, 17] by [2.378e+00 1.000e-03 1.310e+00] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Na4Pr4Nb4O24
_chemical_formula_sum "Ba4 Na4 Pr4 Nb4 O24"
_cell_length_a 8.63740882
_cell_length_b 8.61397828
_cell_length_c 8.61377572
_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 Ba4Na4Pr4Nb4O24
_chemical_formula_sum "Ba4 Na4 Pr4 Nb4 O24"
_cell_length_a 8.63740882
_cell_length_b 8.61397828
_cell_length_c 8.61377572
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveSelectedAtomsAction | d3f75097-53d3-4f6a-ae43-b340469b20ab | mp-1223055 | Move atoms at indices [0, 12, 15, 25, 22, 17, 30, 32, 14, 5, 27, 37, 38, 29, 2, 21, 7, 35, 26, 3, 16, 31, 10, 1, 34, 23, 11, 4, 28, 36, 6, 33, 18, 8, 20, 39, 13, 24, 19, 9] by [3.046 1.485 2.036] angstrom in the cif file. | data_image0
_chemical_formula_structural La8Mg2Cr6O24
_chemical_formula_sum "La8 Mg2 Cr6 O24"
_cell_length_a 7.86161243
_cell_length_b 7.914223340000001
_cell_length_c 7.87884488
_cell_angle_alpha 89.97539867
_cell_angle_beta 89.95009291
_cell_angle_gamma 89.67831836
_spa... | data_image0
_chemical_formula_structural La8Mg2Cr6O24
_chemical_formula_sum "La8 Mg2 Cr6 O24"
_cell_length_a 7.86161243
_cell_length_b 7.914223340000001
_cell_length_c 7.87884488
_cell_angle_alpha 89.97539867
_cell_angle_beta 89.95009291
_cell_angle_gamma 89.67831836
_spa... |
MoveSelectedAtomsAction | 5fca826d-6711-4bec-b082-2c734dbc2402 | mp-19140 | Move atoms at indices [11, 28, 17, 27, 0, 7, 16, 18, 10] by [-1.565 -4.334 3.828] angstrom in the cif file. | data_image0
_chemical_formula_structural K12Mn4O16
_chemical_formula_sum "K12 Mn4 O16"
_cell_length_a 6.49865786
_cell_length_b 10.836143570000003
_cell_length_c 9.493722039999998
_cell_angle_alpha 67.4691507
_cell_angle_beta 89.95728003
_cell_angle_gamma 107.3793927899999... | data_image0
_chemical_formula_structural K12Mn4O16
_chemical_formula_sum "K12 Mn4 O16"
_cell_length_a 6.49865786
_cell_length_b 10.836143570000003
_cell_length_c 9.493722039999998
_cell_angle_alpha 67.4691507
_cell_angle_beta 89.95728003
_cell_angle_gamma 107.3793927899999... |
MoveSelectedAtomsAction | 325685d2-6285-4321-886c-c180d56127e2 | mp-1205609 | Move atoms at indices [8] by [ 1.529 1.977 -1.055] angstrom in the cif file. | data_image0
_chemical_formula_structural Pr2P2Os4C2
_chemical_formula_sum "Pr2 P2 Os4 C2"
_cell_length_a 5.87434922
_cell_length_b 5.87434922
_cell_length_c 7.147218
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.53883479
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Pr2P2Os4C2
_chemical_formula_sum "Pr2 P2 Os4 C2"
_cell_length_a 5.87434922
_cell_length_b 5.87434922
_cell_length_c 7.147218
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.53883479
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | f3264207-3450-4753-95b7-50db252856d1 | mp-23675 | Move atoms at indices [8, 9, 3, 10, 2, 0, 5, 6, 4, 11, 1, 7] by [-0.204 0.633 -1.076] angstrom in the cif file. | data_image0
_chemical_formula_structural H8Br2N2
_chemical_formula_sum "H8 Br2 N2"
_cell_length_a 4.10672895
_cell_length_b 5.7148727
_cell_length_c 5.7148727
_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 H8Br2N2
_chemical_formula_sum "H8 Br2 N2"
_cell_length_a 4.10672895
_cell_length_b 5.7148727
_cell_length_c 5.7148727
_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 | 87d1762f-5579-4cb0-99a6-526a6b42892a | mp-780891 | Move atoms at indices [3, 18, 14, 22, 0, 12, 17, 19, 16, 20, 7, 11, 9, 23, 4, 6, 10] by [1.263 2.46 1.052] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe8O14F2
_chemical_formula_sum "Fe8 O14 F2"
_cell_length_a 7.19630577
_cell_length_b 7.19630577
_cell_length_c 5.519081169999999
_cell_angle_alpha 71.83725514
_cell_angle_beta 71.83725514
_cell_angle_gamma 80.10399085
_space_group_... | data_image0
_chemical_formula_structural Fe8O14F2
_chemical_formula_sum "Fe8 O14 F2"
_cell_length_a 7.19630577
_cell_length_b 7.19630577
_cell_length_c 5.519081169999999
_cell_angle_alpha 71.83725514
_cell_angle_beta 71.83725514
_cell_angle_gamma 80.10399085
_space_group_... |
MoveSelectedAtomsAction | 8d79d8f6-6a95-4e55-b43a-c2622cef1ae1 | mp-558102 | Move atoms at indices [5, 8, 4, 11, 17, 6, 13, 7, 9, 3, 0, 1, 16, 10, 12, 15, 2, 14] by [ 1.518 -0.569 1.665] angstrom in the cif file. | data_image0
_chemical_formula_structural K2Li2Si4O10
_chemical_formula_sum "K2 Li2 Si4 O10"
_cell_length_a 4.874509
_cell_length_b 6.0847
_cell_length_c 8.30369295
_cell_angle_alpha 86.56193316
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural K2Li2Si4O10
_chemical_formula_sum "K2 Li2 Si4 O10"
_cell_length_a 4.874509
_cell_length_b 6.0847
_cell_length_c 8.30369295
_cell_angle_alpha 86.56193316
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveSelectedAtomsAction | c064286b-73b6-4e52-9c5f-8400d98ea78c | mp-1020147 | Move atoms at indices [53, 56, 32, 34, 46, 44, 19, 59, 33, 24, 52, 20, 63, 35, 7, 14, 25, 28, 17, 45, 9, 8, 60, 1, 2, 13, 0, 27, 50, 43, 49, 21, 61] by [ 0.773 -2.216 -2.98 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Mg8P12N4O36
_chemical_formula_sum "Na8 Mg8 P12 N4 O36"
_cell_length_a 9.352436
_cell_length_b 9.352436
_cell_length_c 9.352436
_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 Na8Mg8P12N4O36
_chemical_formula_sum "Na8 Mg8 P12 N4 O36"
_cell_length_a 9.352436
_cell_length_b 9.352436
_cell_length_c 9.352436
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveSelectedAtomsAction | 385f36da-ee65-4ce5-aa1f-672815a473a1 | mp-2217356 | Move atoms at indices [8, 3, 0, 5, 4, 7, 10, 2, 6, 1] by [ 1.632 -0.625 -0.708] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2YMgBiO6
_chemical_formula_sum "Ba2 Y1 Mg1 Bi1 O6"
_cell_length_a 6.33993301
_cell_length_b 6.339093429999999
_cell_length_c 7.05925237
_cell_angle_alpha 63.47899969000001
_cell_angle_beta 63.31715937
_cell_angle_gamma 59.99561646... | data_image0
_chemical_formula_structural Ba2YMgBiO6
_chemical_formula_sum "Ba2 Y1 Mg1 Bi1 O6"
_cell_length_a 6.33993301
_cell_length_b 6.339093429999999
_cell_length_c 7.05925237
_cell_angle_alpha 63.47899969000001
_cell_angle_beta 63.31715937
_cell_angle_gamma 59.99561646... |
MoveSelectedAtomsAction | bc854245-9e38-4dc9-9c8c-b0e0e4672d3e | mp-778157 | Move atoms at indices [21, 5, 19, 9, 0, 27] by [1.298 1.335 0.038] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe10O6F14
_chemical_formula_sum "Fe10 O6 F14"
_cell_length_a 4.78456862
_cell_length_b 4.783618090000001
_cell_length_c 15.727625559999998
_cell_angle_alpha 89.83781460999998
_cell_angle_beta 90.05519869
_cell_angle_gamma 90.4524454... | data_image0
_chemical_formula_structural Fe10O6F14
_chemical_formula_sum "Fe10 O6 F14"
_cell_length_a 4.78456862
_cell_length_b 4.783618090000001
_cell_length_c 15.727625559999998
_cell_angle_alpha 89.83781460999998
_cell_angle_beta 90.05519869
_cell_angle_gamma 90.4524454... |
MoveSelectedAtomsAction | 9b0ca06e-aeb4-4047-a1b6-4051966d7d96 | mp-1191832 | Move atoms at indices [6, 1, 5, 10, 14, 13, 19, 20, 11, 18, 4, 2] by [-2.504 1.721 -2.839] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2Mo8O12
_chemical_formula_sum "Na2 Mo8 O12"
_cell_length_a 10.016629
_cell_length_b 10.016629
_cell_length_c 3.26276
_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 Na2Mo8O12
_chemical_formula_sum "Na2 Mo8 O12"
_cell_length_a 10.016629
_cell_length_b 10.016629
_cell_length_c 3.26276
_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 | cdb5b193-ed4f-40cc-a1dc-d2b70057165a | mp-777349 | Move atoms at indices [1, 11, 9, 16, 14, 6, 10, 2, 4, 3, 0, 5, 13, 17, 12, 7, 15, 8] by [2.457 0.313 2.924] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn6O6F6
_chemical_formula_sum "Mn6 O6 F6"
_cell_length_a 4.670662
_cell_length_b 5.695413829999999
_cell_length_c 7.77939247
_cell_angle_alpha 85.41131093
_cell_angle_beta 88.01678689999999
_cell_angle_gamma 87.13600728
_space_grou... | data_image0
_chemical_formula_structural Mn6O6F6
_chemical_formula_sum "Mn6 O6 F6"
_cell_length_a 4.670662
_cell_length_b 5.695413829999999
_cell_length_c 7.77939247
_cell_angle_alpha 85.41131093
_cell_angle_beta 88.01678689999999
_cell_angle_gamma 87.13600728
_space_grou... |
MoveSelectedAtomsAction | 3295a052-5b7f-4b3f-94ec-254c8c9ab16e | mp-1214002 | Move atoms at indices [6, 17, 22, 12, 23, 13] by [-0.294 -2.186 -0.58 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ce3P6Pd20
_chemical_formula_sum "Ce3 P6 Pd20"
_cell_length_a 8.69849863
_cell_length_b 8.69862915
_cell_length_c 8.69743528
_cell_angle_alpha 60.03301289000001
_cell_angle_beta 60.03334011999999
_cell_angle_gamma 60.03013740000001
... | data_image0
_chemical_formula_structural Ce3P6Pd20
_chemical_formula_sum "Ce3 P6 Pd20"
_cell_length_a 8.69849863
_cell_length_b 8.69862915
_cell_length_c 8.69743528
_cell_angle_alpha 60.03301289000001
_cell_angle_beta 60.03334011999999
_cell_angle_gamma 60.03013740000001
... |
MoveSelectedAtomsAction | 9d531181-2656-449d-b15c-5030e9583d9b | mp-27772 | Move atoms at indices [2, 0, 8, 4, 5, 7, 3, 17, 18, 16, 6] by [-5.277 -2.627 -2.832] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb6I16
_chemical_formula_sum "Nb6 I16"
_cell_length_a 15.08258044
_cell_length_b 15.08258044
_cell_length_c 15.08257981
_cell_angle_alpha 29.57353376000001
_cell_angle_beta 29.573533759999997
_cell_angle_gamma 29.57353019999999
_sp... | data_image0
_chemical_formula_structural Nb6I16
_chemical_formula_sum "Nb6 I16"
_cell_length_a 15.08258044
_cell_length_b 15.08258044
_cell_length_c 15.08257981
_cell_angle_alpha 29.57353376000001
_cell_angle_beta 29.573533759999997
_cell_angle_gamma 29.57353019999999
_sp... |
MoveSelectedAtomsAction | a3afab46-9eb4-4bce-8a76-f55c93407b73 | mp-866812 | Move atoms at indices [25, 17, 12, 10, 30, 16, 4, 6, 0, 15, 22, 2, 29, 5, 13, 7, 21, 18, 28, 20, 8, 14, 3] by [-1.805 1.906 0.636] angstrom in the cif file. | data_image0
_chemical_formula_structural U2Ta4S12Cl12O2
_chemical_formula_sum "U2 Ta4 S12 Cl12 O2"
_cell_length_a 6.986233
_cell_length_b 9.6792223
_cell_length_c 12.87159687
_cell_angle_alpha 84.14986946999998
_cell_angle_beta 83.15207639999998
_cell_angle_gamma 88.786650... | data_image0
_chemical_formula_structural U2Ta4S12Cl12O2
_chemical_formula_sum "U2 Ta4 S12 Cl12 O2"
_cell_length_a 6.986233
_cell_length_b 9.6792223
_cell_length_c 12.87159687
_cell_angle_alpha 84.14986946999998
_cell_angle_beta 83.15207639999998
_cell_angle_gamma 88.786650... |
MoveSelectedAtomsAction | 3f24d301-b32e-4793-afd1-6fef40f1a389 | mp-753734 | Move atoms at indices [6, 12, 15, 10] by [-2.381 -1.928 -3.792] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn4Cr2O12
_chemical_formula_sum "Mn4 Cr2 O12"
_cell_length_a 5.07693485
_cell_length_b 5.07693485
_cell_length_c 9.610523
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.19455249
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Mn4Cr2O12
_chemical_formula_sum "Mn4 Cr2 O12"
_cell_length_a 5.07693485
_cell_length_b 5.07693485
_cell_length_c 9.610523
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.19455249
_space_group_name_H-M_alt "P 1... |
MoveSelectedAtomsAction | 1eff9e92-b09f-41fd-af44-92e761b7b3fd | mp-17256 | Move atoms at indices [28, 34, 0, 12, 14, 19, 35, 8] by [ 0.952 2.459 -0.883] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb4Hf6O2F24
_chemical_formula_sum "Rb4 Hf6 O2 F24"
_cell_length_a 10.8372027
_cell_length_b 10.837202699999999
_cell_length_c 10.83720311
_cell_angle_alpha 41.33193428
_cell_angle_beta 41.33193428
_cell_angle_gamma 41.33193677000000... | data_image0
_chemical_formula_structural Rb4Hf6O2F24
_chemical_formula_sum "Rb4 Hf6 O2 F24"
_cell_length_a 10.8372027
_cell_length_b 10.837202699999999
_cell_length_c 10.83720311
_cell_angle_alpha 41.33193428
_cell_angle_beta 41.33193428
_cell_angle_gamma 41.33193677000000... |
MoveSelectedAtomsAction | 706b29e8-87f5-4710-a3c0-89abd89cdd5c | mp-777845 | Move atoms at indices [15, 16, 3, 8, 17] by [ 0.564 -0.57 -3.039] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe6O5F7
_chemical_formula_sum "Fe6 O5 F7"
_cell_length_a 5.666152
_cell_length_b 5.705574750000001
_cell_length_c 7.40923659
_cell_angle_alpha 72.75917785
_cell_angle_beta 71.99228371
_cell_angle_gamma 73.37660293
_space_group_name... | data_image0
_chemical_formula_structural Fe6O5F7
_chemical_formula_sum "Fe6 O5 F7"
_cell_length_a 5.666152
_cell_length_b 5.705574750000001
_cell_length_c 7.40923659
_cell_angle_alpha 72.75917785
_cell_angle_beta 71.99228371
_cell_angle_gamma 73.37660293
_space_group_name... |
MoveSelectedAtomsAction | 2f316a9f-3d5b-45da-a7b2-f190d2cc8f1f | mp-765689 | Move atoms at indices [25, 8, 3, 21, 1, 17, 29, 26, 27, 23, 22, 14, 13, 15, 0, 9] by [ 0.614 -0.421 3.742] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Co6O4F12
_chemical_formula_sum "Li8 Co6 O4 F12"
_cell_length_a 5.26384155
_cell_length_b 5.94325295
_cell_length_c 10.44901011
_cell_angle_alpha 89.02161268999998
_cell_angle_beta 80.05865371
_cell_angle_gamma 72.16652366999999
... | data_image0
_chemical_formula_structural Li8Co6O4F12
_chemical_formula_sum "Li8 Co6 O4 F12"
_cell_length_a 5.26384155
_cell_length_b 5.94325295
_cell_length_c 10.44901011
_cell_angle_alpha 89.02161268999998
_cell_angle_beta 80.05865371
_cell_angle_gamma 72.16652366999999
... |
MoveSelectedAtomsAction | d2fff25d-f93b-4d46-bd64-d07ca7b854e5 | mp-1192677 | Move atoms at indices [22, 19, 11, 23, 16, 9, 0, 5] by [-1.684 3.183 2.509] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs4Pr6OsI13
_chemical_formula_sum "Cs4 Pr6 Os1 I13"
_cell_length_a 10.15150394
_cell_length_b 10.151503939999998
_cell_length_c 12.56262411
_cell_angle_alpha 68.93186197999998
_cell_angle_beta 68.93186198
_cell_angle_gamma 87.734935... | data_image0
_chemical_formula_structural Cs4Pr6OsI13
_chemical_formula_sum "Cs4 Pr6 Os1 I13"
_cell_length_a 10.15150394
_cell_length_b 10.151503939999998
_cell_length_c 12.56262411
_cell_angle_alpha 68.93186197999998
_cell_angle_beta 68.93186198
_cell_angle_gamma 87.734935... |
MoveSelectedAtomsAction | fe3253fc-4860-4409-bd55-2888b0560aea | mp-1336779 | Move atoms at indices [27, 55, 15, 20, 48, 4, 41, 10, 32, 67, 3, 25, 44, 52, 2, 28, 43, 45, 58, 54, 37, 47, 23, 9, 36, 56, 22, 46, 5, 29, 63, 59, 42, 0, 19, 69, 39, 14, 16, 8, 64, 21, 40, 1, 31, 50, 35, 7, 30, 13, 62, 49, 26, 53, 24, 65, 6, 51, 11, 38, 60, 57, 33, 66] by [ 2.723 0.871 -0.889] angstrom in the cif file. | data_image0
_chemical_formula_structural Lu20Fe10S40
_chemical_formula_sum "Lu20 Fe10 S40"
_cell_length_a 7.560596
_cell_length_b 7.682109979999999
_cell_length_c 31.038779590000004
_cell_angle_alpha 96.46261670999999
_cell_angle_beta 90.21349288999998
_cell_angle_gamma 11... | data_image0
_chemical_formula_structural Lu20Fe10S40
_chemical_formula_sum "Lu20 Fe10 S40"
_cell_length_a 7.560596
_cell_length_b 7.682109979999999
_cell_length_c 31.038779590000004
_cell_angle_alpha 96.46261670999999
_cell_angle_beta 90.21349288999998
_cell_angle_gamma 11... |
MoveSelectedAtomsAction | 3faee72e-991c-4bc8-b253-373bc6972f11 | mp-1200075 | Move atoms at indices [17, 44, 33, 25, 26, 31, 39, 12, 22, 41, 0, 5, 43, 19, 8, 2, 3, 18, 16, 7, 20, 11] by [-1.722 1.703 -0.174] angstrom in the cif file. | data_image0
_chemical_formula_structural H26Pt2C6N6Cl4O2
_chemical_formula_sum "H26 Pt2 C6 N6 Cl4 O2"
_cell_length_a 6.42302
_cell_length_b 7.24643047
_cell_length_c 12.074872770000002
_cell_angle_alpha 105.79134456
_cell_angle_beta 96.57896163
_cell_angle_gamma 98.6523140... | data_image0
_chemical_formula_structural H26Pt2C6N6Cl4O2
_chemical_formula_sum "H26 Pt2 C6 N6 Cl4 O2"
_cell_length_a 6.42302
_cell_length_b 7.24643047
_cell_length_c 12.074872770000002
_cell_angle_alpha 105.79134456
_cell_angle_beta 96.57896163
_cell_angle_gamma 98.6523140... |
MoveSelectedAtomsAction | 5d9d62f2-2781-4b5e-b7b1-a5225b9cecb2 | mp-28684 | Move atoms at indices [13, 18, 21, 33, 84, 53, 28, 5, 46, 91, 72, 42, 19, 35, 76, 95, 11, 99, 67, 47, 86, 40, 82, 80, 70, 41] by [-0.13 2.569 1.951] angstrom in the cif file. | 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 | 1eeb4c75-0766-48fe-bd1a-c4f6a7df8433 | mp-2228398 | Move atoms at indices [8] by [1.326 1.119 3.284] angstrom in the cif file. | data_image0
_chemical_formula_structural MgCo6O9F3
_chemical_formula_sum "Mg1 Co6 O9 F3"
_cell_length_a 4.96812265
_cell_length_b 4.97965833
_cell_length_c 8.61320675
_cell_angle_alpha 89.06827837
_cell_angle_beta 91.67215628
_cell_angle_gamma 102.36653829000001
_space_gr... | data_image0
_chemical_formula_structural MgCo6O9F3
_chemical_formula_sum "Mg1 Co6 O9 F3"
_cell_length_a 4.96812265
_cell_length_b 4.97965833
_cell_length_c 8.61320675
_cell_angle_alpha 89.06827837
_cell_angle_beta 91.67215628
_cell_angle_gamma 102.36653829000001
_space_gr... |
MoveSelectedAtomsAction | 74edf16e-8b7b-43c4-8b34-20d0b2ab3127 | mp-1095109 | Move atoms at indices [7, 3, 2, 6, 5, 1, 9] by [-0.974 -1.822 0.835] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2BiIrO6
_chemical_formula_sum "Ba2 Bi1 Ir1 O6"
_cell_length_a 6.07830403
_cell_length_b 6.07830403
_cell_length_c 6.078304029999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999... | data_image0
_chemical_formula_structural Ba2BiIrO6
_chemical_formula_sum "Ba2 Bi1 Ir1 O6"
_cell_length_a 6.07830403
_cell_length_b 6.07830403
_cell_length_c 6.078304029999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999... |
MoveSelectedAtomsAction | ba6a13ec-23d9-4e05-875a-05eaeca7fe36 | mp-1226415 | Move atoms at indices [16, 22, 1, 24, 25, 7, 0, 14, 26, 10, 20, 23, 19, 9, 12] by [-5.072 -1.452 0.99 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Co4Mo4O19
_chemical_formula_sum "Co4 Mo4 O19"
_cell_length_a 6.872225
_cell_length_b 6.94423398
_cell_length_c 9.42774129
_cell_angle_alpha 76.97480465
_cell_angle_beta 81.31897182
_cell_angle_gamma 74.9666926
_space_group_name_H-M... | data_image0
_chemical_formula_structural Co4Mo4O19
_chemical_formula_sum "Co4 Mo4 O19"
_cell_length_a 6.872225
_cell_length_b 6.94423398
_cell_length_c 9.42774129
_cell_angle_alpha 76.97480465
_cell_angle_beta 81.31897182
_cell_angle_gamma 74.9666926
_space_group_name_H-M... |
MoveSelectedAtomsAction | cb2c7abf-acab-44cd-828d-348fb3551a21 | mp-603241 | Move atoms at indices [44, 36, 37, 0, 30, 54, 45, 20, 55, 27, 49, 6, 28, 46, 18, 58, 3, 31, 5, 12, 56, 51, 13, 8, 52, 50, 59, 48] by [-0.794 0.612 1.118] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Fe4Si16O40
_chemical_formula_sum "Ba4 Fe4 Si16 O40"
_cell_length_a 10.88788597
_cell_length_b 10.88786546
_cell_length_c 11.1371523
_cell_angle_alpha 60.73805768
_cell_angle_beta 119.26190498999999
_cell_angle_gamma 89.99986976
... | data_image0
_chemical_formula_structural Ba4Fe4Si16O40
_chemical_formula_sum "Ba4 Fe4 Si16 O40"
_cell_length_a 10.88788597
_cell_length_b 10.88786546
_cell_length_c 11.1371523
_cell_angle_alpha 60.73805768
_cell_angle_beta 119.26190498999999
_cell_angle_gamma 89.99986976
... |
MoveSelectedAtomsAction | 17d0e163-2e51-4ca7-bd09-6c124a157064 | mp-561286 | Move atoms at indices [10, 6, 15, 1] by [-4.374 3.227 0.162] angstrom in the cif file. | data_image0
_chemical_formula_structural Zn20S20
_chemical_formula_sum "Zn20 S20"
_cell_length_a 3.80866991
_cell_length_b 3.8086698999999995
_cell_length_c 62.26385349
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999998999999
_space_group_name_H-M... | data_image0
_chemical_formula_structural Zn20S20
_chemical_formula_sum "Zn20 S20"
_cell_length_a 3.80866991
_cell_length_b 3.8086698999999995
_cell_length_c 62.26385349
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999998999999
_space_group_name_H-M... |
MoveSelectedAtomsAction | 5a486a14-ed28-49c8-bc44-7b98c7fda986 | mp-27197 | Move atoms at indices [13, 18, 16, 19, 7, 20, 9, 17, 14, 12, 23, 5, 11, 22, 8, 15, 1, 21, 2, 3, 10, 24, 6, 25, 4, 0] by [6.128 2.776 2.637] angstrom in the cif file. | data_image0
_chemical_formula_structural Na8As4O14
_chemical_formula_sum "Na8 As4 O14"
_cell_length_a 5.84356663
_cell_length_b 5.843566630000001
_cell_length_c 12.222710270000002
_cell_angle_alpha 88.52213325999999
_cell_angle_beta 88.52213325999999
_cell_angle_gamma 118.... | data_image0
_chemical_formula_structural Na8As4O14
_chemical_formula_sum "Na8 As4 O14"
_cell_length_a 5.84356663
_cell_length_b 5.843566630000001
_cell_length_c 12.222710270000002
_cell_angle_alpha 88.52213325999999
_cell_angle_beta 88.52213325999999
_cell_angle_gamma 118.... |
MoveSelectedAtomsAction | ad9b39af-4f18-4104-ab5c-492629735549 | mp-1210214 | Move atoms at indices [23, 7, 26, 17, 24, 21, 0, 14, 27, 2, 8, 3, 18, 11, 4, 5, 25] by [ 0.007 0.796 -0.115] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2Nb4Bi4O18
_chemical_formula_sum "Na2 Nb4 Bi4 O18"
_cell_length_a 5.58523
_cell_length_b 5.675994
_cell_length_c 12.54198163
_cell_angle_alpha 90.0
_cell_angle_beta 102.86539251
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na2Nb4Bi4O18
_chemical_formula_sum "Na2 Nb4 Bi4 O18"
_cell_length_a 5.58523
_cell_length_b 5.675994
_cell_length_c 12.54198163
_cell_angle_alpha 90.0
_cell_angle_beta 102.86539251
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 958df24f-cfbd-4e07-9487-88a0d24e137d | mp-690490 | Move atoms at indices [3, 12, 6, 15, 7] by [3.939 0.658 0.247] 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 | 707c5071-39f2-4612-9b92-4fc3dbfd976d | mp-510 | Move atoms at indices [1, 32, 9, 43, 45, 2, 26, 5, 4, 15, 39, 36, 27, 38, 14, 19, 13, 40, 28, 7, 12, 21, 34, 35, 44, 46, 0, 18, 11, 17, 24, 16, 20, 41, 10, 8, 42, 30, 23, 33, 3, 31, 25] by [ 1.098 -4.153 0.749] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta16O32
_chemical_formula_sum "Ta16 O32"
_cell_length_a 10.22760131
_cell_length_b 10.22760131
_cell_length_c 10.22760131
_cell_angle_alpha 94.97482101
_cell_angle_beta 94.97482101
_cell_angle_gamma 145.74738884999996
_space_group_... | data_image0
_chemical_formula_structural Ta16O32
_chemical_formula_sum "Ta16 O32"
_cell_length_a 10.22760131
_cell_length_b 10.22760131
_cell_length_c 10.22760131
_cell_angle_alpha 94.97482101
_cell_angle_beta 94.97482101
_cell_angle_gamma 145.74738884999996
_space_group_... |
MoveSelectedAtomsAction | 9697d604-3b76-4953-b69a-dfaced950f1e | mp-667336 | Move atoms at indices [5, 27, 37, 71, 19, 32, 86, 85, 88, 23, 49, 26, 12, 45, 4, 41, 91, 28, 6, 87, 89] by [-3.186 2.629 1.391] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs16Zr12Te64
_chemical_formula_sum "Cs16 Zr12 Te64"
_cell_length_a 19.784849
_cell_length_b 12.217208
_cell_length_c 17.97604476
_cell_angle_alpha 60.070154949999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Cs16Zr12Te64
_chemical_formula_sum "Cs16 Zr12 Te64"
_cell_length_a 19.784849
_cell_length_b 12.217208
_cell_length_c 17.97604476
_cell_angle_alpha 60.070154949999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
MoveSelectedAtomsAction | 7765addf-afff-4530-8a13-aa145dda8796 | mp-795772 | Move atoms at indices [2, 20, 5, 12, 14, 18, 19, 4, 17, 7, 16, 10, 6, 21] by [-2.979 -0.199 -0.93 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb10Co4O8
_chemical_formula_sum "Rb10 Co4 O8"
_cell_length_a 7.061377
_cell_length_b 9.32316657
_cell_length_c 9.725491290000003
_cell_angle_alpha 118.05706487
_cell_angle_beta 89.66912512
_cell_angle_gamma 108.44379706000001
_spac... | data_image0
_chemical_formula_structural Rb10Co4O8
_chemical_formula_sum "Rb10 Co4 O8"
_cell_length_a 7.061377
_cell_length_b 9.32316657
_cell_length_c 9.725491290000003
_cell_angle_alpha 118.05706487
_cell_angle_beta 89.66912512
_cell_angle_gamma 108.44379706000001
_spac... |
MoveSelectedAtomsAction | 2fe350f1-3340-4246-8e98-bf066082d61b | mp-568534 | Move atoms at indices [14, 29, 0, 36, 38, 35, 26, 30, 34, 4, 42, 10, 24, 3, 11, 18, 28, 41, 39, 19, 37, 40, 21, 25, 23, 12, 31, 13, 7, 33, 17, 5, 27, 1, 22, 6, 15, 8, 20, 43, 16, 9, 32, 2] by [-0.319 -3.808 -1.77 ] angstrom in the cif file. | data_image0
_chemical_formula_structural P16C8Se12N8
_chemical_formula_sum "P16 C8 Se12 N8"
_cell_length_a 6.853759
_cell_length_b 12.511679
_cell_length_c 14.24437576
_cell_angle_alpha 72.46563389
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural P16C8Se12N8
_chemical_formula_sum "P16 C8 Se12 N8"
_cell_length_a 6.853759
_cell_length_b 12.511679
_cell_length_c 14.24437576
_cell_angle_alpha 72.46563389
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | f58da76e-4d38-4ec0-8a4e-2c2e7d338904 | mp-1229207 | Move atoms at indices [25, 32, 2, 0, 31, 28, 35, 7, 16, 1, 17, 18, 33, 29, 20, 24, 3, 10, 15, 22, 9, 34, 30, 21, 23, 12, 19, 5, 11, 26, 27, 4, 13] by [-3.741 2.863 2.407] angstrom in the cif file. | data_image0
_chemical_formula_structural Al4Si8O24
_chemical_formula_sum "Al4 Si8 O24"
_cell_length_a 9.563469
_cell_length_b 9.57905997
_cell_length_c 9.71377535
_cell_angle_alpha 94.47840969
_cell_angle_beta 95.04810756999998
_cell_angle_gamma 94.63304470999998
_space_g... | data_image0
_chemical_formula_structural Al4Si8O24
_chemical_formula_sum "Al4 Si8 O24"
_cell_length_a 9.563469
_cell_length_b 9.57905997
_cell_length_c 9.71377535
_cell_angle_alpha 94.47840969
_cell_angle_beta 95.04810756999998
_cell_angle_gamma 94.63304470999998
_space_g... |
MoveSelectedAtomsAction | 5b4e113b-5694-45ff-bddf-dbe1ae2409ea | mp-1173764 | Move atoms at indices [10, 5, 7, 24, 11, 19, 29, 9, 0, 8, 23, 34, 25, 39, 37, 20, 14, 4, 35, 18] by [-2.07 0.411 -2.406] angstrom in the cif file. | data_image0
_chemical_formula_structural Na5Ce3Ti6Nb2O24
_chemical_formula_sum "Na5 Ce3 Ti6 Nb2 O24"
_cell_length_a 5.53853843
_cell_length_b 5.51219945
_cell_length_c 15.52114946
_cell_angle_alpha 89.94664857
_cell_angle_beta 90.00032967
_cell_angle_gamma 90.0447047100000... | data_image0
_chemical_formula_structural Na5Ce3Ti6Nb2O24
_chemical_formula_sum "Na5 Ce3 Ti6 Nb2 O24"
_cell_length_a 5.53853843
_cell_length_b 5.51219945
_cell_length_c 15.52114946
_cell_angle_alpha 89.94664857
_cell_angle_beta 90.00032967
_cell_angle_gamma 90.0447047100000... |
MoveSelectedAtomsAction | a408e2e4-1284-4869-8ace-898ea59eaedf | mp-1219521 | Move atoms at indices [5, 8, 7] by [-2.652 -1.219 -0.357] angstrom in the cif file. | data_image0
_chemical_formula_structural Sb4As4Ir4
_chemical_formula_sum "Sb4 As4 Ir4"
_cell_length_a 6.398697
_cell_length_b 6.4034486
_cell_length_c 6.55434184
_cell_angle_alpha 114.09464444
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Sb4As4Ir4
_chemical_formula_sum "Sb4 As4 Ir4"
_cell_length_a 6.398697
_cell_length_b 6.4034486
_cell_length_c 6.55434184
_cell_angle_alpha 114.09464444
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveSelectedAtomsAction | 9fb5fa04-44a6-47c9-8161-73771cff98f5 | mp-1246932 | Move atoms at indices [1, 4, 5, 51, 36, 19, 6, 37, 38, 8, 2, 11, 44, 3, 42, 15, 52, 29, 21, 35, 30, 10, 50, 47, 34, 28, 12, 18, 7, 17, 45, 25, 41, 13, 9, 26, 27, 23, 43, 31, 46, 48, 24, 16, 20, 33, 49, 14, 54, 32, 0, 53, 39, 22, 55] by [ 2.498 3.311 -0.454] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba28Hf4N24
_chemical_formula_sum "Ba28 Hf4 N24"
_cell_length_a 12.513275
_cell_length_b 7.275755
_cell_length_c 14.957083
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Ba28Hf4N24
_chemical_formula_sum "Ba28 Hf4 N24"
_cell_length_a 12.513275
_cell_length_b 7.275755
_cell_length_c 14.957083
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
MoveSelectedAtomsAction | d2d6016d-f9bb-4453-8652-4db7a0a690e6 | mp-18398 | Move atoms at indices [33, 0, 34, 10, 1, 8, 14, 19, 16, 7, 22, 23, 30, 18, 27, 31, 13, 3, 32, 29, 12, 4, 24, 2, 25, 9, 6, 20, 28, 11, 35] by [0.113 0.366 1.78 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2V6Te4O24
_chemical_formula_sum "Cs2 V6 Te4 O24"
_cell_length_a 7.27519056
_cell_length_b 7.27519056
_cell_length_c 11.869581
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000506
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs2V6Te4O24
_chemical_formula_sum "Cs2 V6 Te4 O24"
_cell_length_a 7.27519056
_cell_length_b 7.27519056
_cell_length_c 11.869581
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000506
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 202e0c62-8cee-49f3-91c9-ce34b8b70c3d | mp-984755 | Move atoms at indices [6, 12, 15, 13, 2, 20, 16, 7, 0, 14, 10, 5, 33, 24, 32, 28, 25, 22, 31, 9, 26, 23, 17, 27, 21, 4, 1, 3] by [ 0.857 -2.537 0.596] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb8Ag4O22
_chemical_formula_sum "Nb8 Ag4 O22"
_cell_length_a 13.2430866
_cell_length_b 13.243086600000002
_cell_length_c 13.24308617
_cell_angle_alpha 27.34979933000001
_cell_angle_beta 27.349799329999986
_cell_angle_gamma 27.349797... | data_image0
_chemical_formula_structural Nb8Ag4O22
_chemical_formula_sum "Nb8 Ag4 O22"
_cell_length_a 13.2430866
_cell_length_b 13.243086600000002
_cell_length_c 13.24308617
_cell_angle_alpha 27.34979933000001
_cell_angle_beta 27.349799329999986
_cell_angle_gamma 27.349797... |
MoveSelectedAtomsAction | abd02a5d-e43f-4141-b84d-6813bb8ba552 | mp-2321 | Move atoms at indices [8, 4, 14, 12, 1] by [-3.143 -1.51 0.393] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb6Ge10
_chemical_formula_sum "Tb6 Ge10"
_cell_length_a 5.7646017
_cell_length_b 7.46210898
_cell_length_c 9.12937743
_cell_angle_alpha 82.99785231
_cell_angle_beta 71.59589664
_cell_angle_gamma 67.28637543
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Tb6Ge10
_chemical_formula_sum "Tb6 Ge10"
_cell_length_a 5.7646017
_cell_length_b 7.46210898
_cell_length_c 9.12937743
_cell_angle_alpha 82.99785231
_cell_angle_beta 71.59589664
_cell_angle_gamma 67.28637543
_space_group_name_H-M_al... |
MoveSelectedAtomsAction | a469b690-f8cd-44bd-8619-d111e6ec9d7d | mp-1176767 | Move atoms at indices [7, 40, 10, 37, 75, 41, 4, 60, 44, 6, 15, 22, 43, 50, 23, 66, 45, 64, 26, 72, 9, 68, 36, 74, 82, 49, 11, 81, 12, 42, 51, 30, 77, 16, 8, 53, 33, 76, 69, 32, 70, 57, 71, 5, 48, 65, 62, 47, 18, 2, 61, 24, 13, 21, 73, 80, 20, 38, 35, 55, 27, 56, 28, 31, 25, 83, 34, 67, 46, 3, 58, 17, 1, 39, 29, 78, 63... | data_image0
_chemical_formula_structural Li12Cu12P12O48
_chemical_formula_sum "Li12 Cu12 P12 O48"
_cell_length_a 18.617069
_cell_length_b 5.65504
_cell_length_c 8.472034
_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 Li12Cu12P12O48
_chemical_formula_sum "Li12 Cu12 P12 O48"
_cell_length_a 18.617069
_cell_length_b 5.65504
_cell_length_c 8.472034
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveSelectedAtomsAction | fd3ebaca-ab78-46ca-8d5d-318bc934ce6a | mp-1094347 | Move atoms at indices [0, 1, 5, 7, 4, 11] by [-0.515 -3.095 2.215] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg6Ti6
_chemical_formula_sum "Mg6 Ti6"
_cell_length_a 4.882673
_cell_length_b 5.098113
_cell_length_c 9.429558
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_n... | data_image0
_chemical_formula_structural Mg6Ti6
_chemical_formula_sum "Mg6 Ti6"
_cell_length_a 4.882673
_cell_length_b 5.098113
_cell_length_c 9.429558
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_n... |
MoveSelectedAtomsAction | 5045b73c-4f5e-482e-8d2e-a9b8f5297aba | mp-1215043 | Move atoms at indices [86, 28, 2, 71, 83, 72, 60, 47, 0, 68, 18, 32, 15, 24, 78, 37, 82, 41, 89, 51, 21, 63, 25, 1, 34, 46, 6, 65, 59, 77, 73, 69, 13, 48, 12, 9, 70] by [-1.314 2.594 0.11 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca6Al12O72
_chemical_formula_sum "Ca6 Al12 O72"
_cell_length_a 16.0686127
_cell_length_b 16.0686127
_cell_length_c 9.065298
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Ca6Al12O72
_chemical_formula_sum "Ca6 Al12 O72"
_cell_length_a 16.0686127
_cell_length_b 16.0686127
_cell_length_c 9.065298
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H-M_alt... |
MoveSelectedAtomsAction | a8bb4371-a09b-4e2e-8738-375acaf192f6 | mp-27888 | Move atoms at indices [7, 2, 5, 8, 11, 6, 4, 1, 10, 9] by [ 0.439 -0.919 2.692] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr3GeO8
_chemical_formula_sum "Zr3 Ge1 O8"
_cell_length_a 5.01459289
_cell_length_b 5.01458845
_cell_length_c 6.33418319
_cell_angle_alpha 113.31969382
_cell_angle_beta 113.32013782
_cell_angle_gamma 90.00120143000001
_space_group_... | data_image0
_chemical_formula_structural Zr3GeO8
_chemical_formula_sum "Zr3 Ge1 O8"
_cell_length_a 5.01459289
_cell_length_b 5.01458845
_cell_length_c 6.33418319
_cell_angle_alpha 113.31969382
_cell_angle_beta 113.32013782
_cell_angle_gamma 90.00120143000001
_space_group_... |
MoveSelectedAtomsAction | ec1758e5-fcdb-4103-8733-38a1166aec14 | mp-28535 | Move atoms at indices [14, 15, 7, 23] by [ 1.939 -0.339 -4.29 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Se6O16
_chemical_formula_sum "Ca4 Se6 O16"
_cell_length_a 5.52447697
_cell_length_b 8.23968812
_cell_length_c 8.72755108
_cell_angle_alpha 92.60643704000002
_cell_angle_beta 95.99909062
_cell_angle_gamma 97.21121254
_space_group... | data_image0
_chemical_formula_structural Ca4Se6O16
_chemical_formula_sum "Ca4 Se6 O16"
_cell_length_a 5.52447697
_cell_length_b 8.23968812
_cell_length_c 8.72755108
_cell_angle_alpha 92.60643704000002
_cell_angle_beta 95.99909062
_cell_angle_gamma 97.21121254
_space_group... |
MoveSelectedAtomsAction | d70a55d8-fa70-4cf7-92b6-5d24fc635434 | mp-556061 | Move atoms at indices [21, 13, 26, 12, 8, 45, 16, 0, 43, 32, 38, 35, 28, 6, 53, 18, 47, 37, 46, 36, 49, 51, 30, 4, 48, 15, 29, 34, 41, 33, 55, 52, 19, 50, 27, 24, 22, 17, 9, 11, 44, 3, 10, 5, 20, 39, 23, 7, 31, 1, 2] by [-0.507 0.466 -0.731] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs4Sb8F44
_chemical_formula_sum "Cs4 Sb8 F44"
_cell_length_a 14.12716114
_cell_length_b 7.66997476
_cell_length_c 9.43926264
_cell_angle_alpha 65.52848727
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Cs4Sb8F44
_chemical_formula_sum "Cs4 Sb8 F44"
_cell_length_a 14.12716114
_cell_length_b 7.66997476
_cell_length_c 9.43926264
_cell_angle_alpha 65.52848727
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveSelectedAtomsAction | 62ad23e9-8bd2-4f81-8f20-fe29de717068 | mp-1210964 | Move atoms at indices [13, 1, 36] by [ 1.828 -2.408 2.072] angstrom in the cif file. | data_image0
_chemical_formula_structural Lu12Cr4S24
_chemical_formula_sum "Lu12 Cr4 S24"
_cell_length_a 3.68271924
_cell_length_b 13.08619279
_cell_length_c 15.65805516
_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 Lu12Cr4S24
_chemical_formula_sum "Lu12 Cr4 S24"
_cell_length_a 3.68271924
_cell_length_b 13.08619279
_cell_length_c 15.65805516
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveSelectedAtomsAction | 44e0128c-656a-47d7-82c5-bfc10c2b8e9d | mp-1197082 | Move atoms at indices [0, 31, 27, 3] by [ 0.846 -5.425 2.066] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb6Tm2S6O24
_chemical_formula_sum "Rb6 Tm2 S6 O24"
_cell_length_a 9.41269635
_cell_length_b 9.41269635
_cell_length_c 9.43326427
_cell_angle_alpha 70.76036173
_cell_angle_beta 70.76036173
_cell_angle_gamma 109.51419768
_space_group... | data_image0
_chemical_formula_structural Rb6Tm2S6O24
_chemical_formula_sum "Rb6 Tm2 S6 O24"
_cell_length_a 9.41269635
_cell_length_b 9.41269635
_cell_length_c 9.43326427
_cell_angle_alpha 70.76036173
_cell_angle_beta 70.76036173
_cell_angle_gamma 109.51419768
_space_group... |
MoveSelectedAtomsAction | db0347b1-b44d-4eee-a990-ebc591c8b0b8 | mp-759690 | Move atoms at indices [24, 6, 5, 16, 30, 20, 17, 28, 23, 31, 8, 2, 32, 10, 29, 0, 15, 33, 22, 7, 25] by [-1.764 -1.776 1.239] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn2H16N4F12
_chemical_formula_sum "Mn2 H16 N4 F12"
_cell_length_a 5.9480205
_cell_length_b 5.9480205
_cell_length_c 9.53639
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000556999998
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mn2H16N4F12
_chemical_formula_sum "Mn2 H16 N4 F12"
_cell_length_a 5.9480205
_cell_length_b 5.9480205
_cell_length_c 9.53639
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000556999998
_space_group_name_H-M_alt... |
MoveSelectedAtomsAction | b7f01d56-141f-4664-a1b4-180596806a15 | mp-561527 | Move atoms at indices [28, 34, 54, 45, 1, 20, 18, 53, 2, 31, 24, 50, 15, 0, 55, 22, 40, 10, 8, 37, 49, 39, 32, 51, 48, 21, 7, 42, 4, 14, 36] by [-2.129 4.564 1.142] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb6Zr4P10S36
_chemical_formula_sum "Rb6 Zr4 P10 S36"
_cell_length_a 6.87203973
_cell_length_b 6.87203973
_cell_length_c 33.89701359
_cell_angle_alpha 86.13173872
_cell_angle_beta 86.13173872
_cell_angle_gamma 92.9822827
_space_grou... | data_image0
_chemical_formula_structural Rb6Zr4P10S36
_chemical_formula_sum "Rb6 Zr4 P10 S36"
_cell_length_a 6.87203973
_cell_length_b 6.87203973
_cell_length_c 33.89701359
_cell_angle_alpha 86.13173872
_cell_angle_beta 86.13173872
_cell_angle_gamma 92.9822827
_space_grou... |
MoveSelectedAtomsAction | 5875763c-d985-46fa-a461-9cbae48710f8 | mp-1247313 | Move atoms at indices [25, 0, 20, 18, 12, 14, 22, 3, 4, 30, 16, 10, 2, 8, 15, 27, 19, 6, 7, 23, 1, 17, 29, 28, 13, 31, 9] by [-2.11 0.212 2.277] angstrom in the cif file. | data_image0
_chemical_formula_structural Zn16Ag4N12
_chemical_formula_sum "Zn16 Ag4 N12"
_cell_length_a 7.08364552
_cell_length_b 6.79057865
_cell_length_c 11.30124314
_cell_angle_alpha 92.11266917
_cell_angle_beta 94.26143464
_cell_angle_gamma 122.26437455999998
_space_g... | data_image0
_chemical_formula_structural Zn16Ag4N12
_chemical_formula_sum "Zn16 Ag4 N12"
_cell_length_a 7.08364552
_cell_length_b 6.79057865
_cell_length_c 11.30124314
_cell_angle_alpha 92.11266917
_cell_angle_beta 94.26143464
_cell_angle_gamma 122.26437455999998
_space_g... |
MoveSelectedAtomsAction | d0fcd20a-6155-45d6-b681-4f560fb51ddd | mp-1078810 | Move atoms at indices [9, 2, 6, 8, 3, 4] by [-4.938 -5.482 2.742] angstrom in the cif file. | data_image0
_chemical_formula_structural Sc4Sn2Au4
_chemical_formula_sum "Sc4 Sn2 Au4"
_cell_length_a 7.58665667
_cell_length_b 7.58665667
_cell_length_c 3.54939042
_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 Sc4Sn2Au4
_chemical_formula_sum "Sc4 Sn2 Au4"
_cell_length_a 7.58665667
_cell_length_b 7.58665667
_cell_length_c 3.54939042
_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 | 081d76ca-bd24-4da6-b8c6-42a38e3c4b51 | mp-2452 | Move atoms at indices [13, 1, 3, 8, 10, 6, 0, 11, 9, 2, 12, 5] by [ 2.615 -1.141 4.208] angstrom in the cif file. | data_image0
_chemical_formula_structural P4O10
_chemical_formula_sum "P4 O10"
_cell_length_a 4.83501677
_cell_length_b 4.83501534
_cell_length_c 8.56186796
_cell_angle_alpha 99.5390988
_cell_angle_beta 99.53909892000001
_cell_angle_gamma 114.39856376
_space_group_name_H-M... | data_image0
_chemical_formula_structural P4O10
_chemical_formula_sum "P4 O10"
_cell_length_a 4.83501677
_cell_length_b 4.83501534
_cell_length_c 8.56186796
_cell_angle_alpha 99.5390988
_cell_angle_beta 99.53909892000001
_cell_angle_gamma 114.39856376
_space_group_name_H-M... |
MoveSelectedAtomsAction | 60123633-abee-435a-9cc6-5996b9d797dc | mp-1217691 | Move atoms at indices [0, 3, 2, 4] by [-1.014 -2.116 -0.218] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb3DyAl8
_chemical_formula_sum "Tb3 Dy1 Al8"
_cell_length_a 9.61162833
_cell_length_b 9.61162833
_cell_length_c 9.61162834
_cell_angle_alpha 33.54500062
_cell_angle_beta 33.54500062
_cell_angle_gamma 33.545002190000005
_space_group... | data_image0
_chemical_formula_structural Tb3DyAl8
_chemical_formula_sum "Tb3 Dy1 Al8"
_cell_length_a 9.61162833
_cell_length_b 9.61162833
_cell_length_c 9.61162834
_cell_angle_alpha 33.54500062
_cell_angle_beta 33.54500062
_cell_angle_gamma 33.545002190000005
_space_group... |
MoveSelectedAtomsAction | f6bc18ff-42b9-41ce-be25-15b17fc4a9d7 | mp-770592 | Move atoms at indices [17, 18, 30, 22, 11] by [2.605 1.28 4.907] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn8P4O20
_chemical_formula_sum "Mn8 P4 O20"
_cell_length_a 7.30761921
_cell_length_b 7.3076192099999995
_cell_length_c 9.74046943
_cell_angle_alpha 62.55562623
_cell_angle_beta 62.55562623
_cell_angle_gamma 52.93347707
_space_group... | data_image0
_chemical_formula_structural Mn8P4O20
_chemical_formula_sum "Mn8 P4 O20"
_cell_length_a 7.30761921
_cell_length_b 7.3076192099999995
_cell_length_c 9.74046943
_cell_angle_alpha 62.55562623
_cell_angle_beta 62.55562623
_cell_angle_gamma 52.93347707
_space_group... |
MoveSelectedAtomsAction | 4daf3569-86dd-4c54-bb32-ce560d45b545 | mp-1191832 | Move atoms at indices [0, 1, 21, 15] by [ 6.739 1.863 -0.79 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2Mo8O12
_chemical_formula_sum "Na2 Mo8 O12"
_cell_length_a 10.016629
_cell_length_b 10.016629
_cell_length_c 3.26276
_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 Na2Mo8O12
_chemical_formula_sum "Na2 Mo8 O12"
_cell_length_a 10.016629
_cell_length_b 10.016629
_cell_length_c 3.26276
_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 | 0ea80d4d-2217-47c0-9335-e6b0da996d48 | mp-759690 | Move atoms at indices [22, 30, 7, 4, 14, 5, 12, 32] by [ 5.052 0.661 -0.765] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn2H16N4F12
_chemical_formula_sum "Mn2 H16 N4 F12"
_cell_length_a 5.9480205
_cell_length_b 5.9480205
_cell_length_c 9.53639
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000556999998
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mn2H16N4F12
_chemical_formula_sum "Mn2 H16 N4 F12"
_cell_length_a 5.9480205
_cell_length_b 5.9480205
_cell_length_c 9.53639
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000556999998
_space_group_name_H-M_alt... |
MoveSelectedAtomsAction | 147a2791-9ec5-4d9c-9906-4b10657c8bc2 | mp-1114234 | Move atoms at indices [2, 4, 6, 3, 0] by [-1.796 1.017 1.33 ] 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 | 3abd6ae6-a331-4827-82a2-fdcd5517335a | mp-1522855 | Move atoms at indices [8, 3, 17, 0, 5, 14, 6, 10, 9, 2, 4, 11] by [-0.066 3.554 -2.836] angstrom in the cif file. | data_image0
_chemical_formula_structural KEuZr4O12
_chemical_formula_sum "K1 Eu1 Zr4 O12"
_cell_length_a 5.80215694
_cell_length_b 5.80215694
_cell_length_c 8.46359513
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.6025642
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural KEuZr4O12
_chemical_formula_sum "K1 Eu1 Zr4 O12"
_cell_length_a 5.80215694
_cell_length_b 5.80215694
_cell_length_c 8.46359513
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.6025642
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | 323ddb0f-679b-4da9-8b34-0be1c9be5244 | mp-756505 | Move atoms at indices [0, 8, 11, 3, 12, 1, 5, 6, 2, 9, 7, 10, 13] by [ 0.219 -1.57 -2.049] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs6Sc2O6
_chemical_formula_sum "Cs6 Sc2 O6"
_cell_length_a 7.32418222
_cell_length_b 7.32418222
_cell_length_c 7.44391154
_cell_angle_alpha 83.170733
_cell_angle_beta 83.170733
_cell_angle_gamma 115.61349048
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Cs6Sc2O6
_chemical_formula_sum "Cs6 Sc2 O6"
_cell_length_a 7.32418222
_cell_length_b 7.32418222
_cell_length_c 7.44391154
_cell_angle_alpha 83.170733
_cell_angle_beta 83.170733
_cell_angle_gamma 115.61349048
_space_group_name_H-M_a... |
MoveSelectedAtomsAction | 8dedc5b8-ac59-4cb8-993c-5ab710f7c05b | mp-1189074 | Move atoms at indices [14, 0, 10, 16, 8, 12, 7, 1, 2, 5, 17, 9, 3, 4, 6, 15, 13] by [-2.598 3.622 1.054] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb4Al2O2F10
_chemical_formula_sum "Rb4 Al2 O2 F10"
_cell_length_a 6.39481619
_cell_length_b 6.394816189999999
_cell_length_c 7.635639
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 99.4904225
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Rb4Al2O2F10
_chemical_formula_sum "Rb4 Al2 O2 F10"
_cell_length_a 6.39481619
_cell_length_b 6.394816189999999
_cell_length_c 7.635639
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 99.4904225
_space_group_name_H-M_a... |
MoveSelectedAtomsAction | 2d43309b-e8e7-46fa-a5e8-249e2932f1ca | mp-1103522 | Move atoms at indices [6, 3, 1, 13] by [ 0.295 -1.979 -1.029] angstrom in the cif file. | data_image0
_chemical_formula_structural Ga10W4
_chemical_formula_sum "Ga10 W4"
_cell_length_a 9.179984
_cell_length_b 9.179984
_cell_length_c 2.734625
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_n... | data_image0
_chemical_formula_structural Ga10W4
_chemical_formula_sum "Ga10 W4"
_cell_length_a 9.179984
_cell_length_b 9.179984
_cell_length_c 2.734625
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_n... |
MoveSelectedAtomsAction | 89329691-ca2b-4cc0-b031-60e92c37772d | mp-558805 | Move atoms at indices [14, 2, 47, 36, 23, 38, 46, 34, 5, 16, 39, 37, 9, 43, 1, 41, 28, 18, 12, 33, 30, 27, 3, 45, 29, 26, 6, 40, 32] by [-0.092 -2.952 0.783] angstrom in the cif file. | data_image0
_chemical_formula_structural Na12Nd4B8O24
_chemical_formula_sum "Na12 Nd4 B8 O24"
_cell_length_a 8.881597
_cell_length_b 6.671646
_cell_length_c 12.18936188
_cell_angle_alpha 57.77745432999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Na12Nd4B8O24
_chemical_formula_sum "Na12 Nd4 B8 O24"
_cell_length_a 8.881597
_cell_length_b 6.671646
_cell_length_c 12.18936188
_cell_angle_alpha 57.77745432999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveSelectedAtomsAction | a05e2f1d-4dc1-4956-9270-13607a6fd4cb | mp-1225453 | Move atoms at indices [29, 10, 7, 39, 32, 5, 40, 58, 16, 33, 18, 21, 41, 9, 44] by [-1.004 -0.673 -1.053] angstrom in the cif file. | data_image0
_chemical_formula_structural Er14Ag51
_chemical_formula_sum "Er14 Ag51"
_cell_length_a 12.7247744
_cell_length_b 12.7247744
_cell_length_c 9.34994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000205999999
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Er14Ag51
_chemical_formula_sum "Er14 Ag51"
_cell_length_a 12.7247744
_cell_length_b 12.7247744
_cell_length_c 9.34994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000205999999
_space_group_name_H-M_alt "P... |
MoveSelectedAtomsAction | feb88d6a-af70-4a6d-b88e-82c4cf083e70 | mp-573073 | Move atoms at indices [57, 28, 32, 55, 51, 45, 22, 38, 44, 26, 29, 17, 63, 58] by [ 1.568 -1.139 -3.669] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs14Cu12F38
_chemical_formula_sum "Cs14 Cu12 F38"
_cell_length_a 6.25390924
_cell_length_b 11.44072763
_cell_length_c 15.851694559999999
_cell_angle_alpha 82.62092964000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... | data_image0
_chemical_formula_structural Cs14Cu12F38
_chemical_formula_sum "Cs14 Cu12 F38"
_cell_length_a 6.25390924
_cell_length_b 11.44072763
_cell_length_c 15.851694559999999
_cell_angle_alpha 82.62092964000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
MoveSelectedAtomsAction | 914f3fc2-7efa-4a50-a710-90ad64b3182a | mp-1217937 | Move atoms at indices [14, 36, 0, 33, 5, 30, 15, 23, 13, 18, 6, 41, 2, 7, 22, 34, 26, 40, 24, 28, 25, 16, 31, 21, 20, 1, 10, 32, 29, 8, 19, 35, 11, 42, 38, 27, 39, 4] by [2.832 0.013 0.178] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti6FeBi9O27
_chemical_formula_sum "Ti6 Fe1 Bi9 O27"
_cell_length_a 6.095446
_cell_length_b 5.707039
_cell_length_c 19.800503
_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 Ti6FeBi9O27
_chemical_formula_sum "Ti6 Fe1 Bi9 O27"
_cell_length_a 6.095446
_cell_length_b 5.707039
_cell_length_c 19.800503
_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 | 9d5dbc0c-cc41-428c-97c4-797f3d7ac0d7 | mp-1200029 | Move atoms at indices [2, 24, 8, 80, 25, 58, 7, 5, 13, 31, 6, 16, 76, 47, 74, 59, 23, 75, 86, 72, 32, 37, 70, 67] by [-2.521 -4.149 -1.45 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Co3P4H48N2O30
_chemical_formula_sum "Co3 P4 H48 N2 O30"
_cell_length_a 6.19672752
_cell_length_b 7.041263
_cell_length_c 17.78336569
_cell_angle_alpha 101.41846615
_cell_angle_beta 90.87874117
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural Co3P4H48N2O30
_chemical_formula_sum "Co3 P4 H48 N2 O30"
_cell_length_a 6.19672752
_cell_length_b 7.041263
_cell_length_c 17.78336569
_cell_angle_alpha 101.41846615
_cell_angle_beta 90.87874117
_cell_angle_gamma 90.0
_space_group_na... |
MoveSelectedAtomsAction | cad43e37-4553-46b8-aaaf-378f736d2a8f | mp-1047132 | Move atoms at indices [11, 5, 13, 12, 10, 3, 8, 2, 4, 6, 1, 0, 9, 7] by [1.186 0.072 2.769] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2Ag4O8
_chemical_formula_sum "Ca2 Ag4 O8"
_cell_length_a 7.63414409
_cell_length_b 7.63414409
_cell_length_c 7.63414409
_cell_angle_alpha 133.30591749999996
_cell_angle_beta 133.30591749999996
_cell_angle_gamma 68.17412985
_space... | data_image0
_chemical_formula_structural Ca2Ag4O8
_chemical_formula_sum "Ca2 Ag4 O8"
_cell_length_a 7.63414409
_cell_length_b 7.63414409
_cell_length_c 7.63414409
_cell_angle_alpha 133.30591749999996
_cell_angle_beta 133.30591749999996
_cell_angle_gamma 68.17412985
_space... |
MoveSelectedAtomsAction | 02dc0ab3-5fdd-41df-b60a-70fd54055b40 | mp-1214431 | Move atoms at indices [9, 8, 6] by [-1.128 -0.608 0.159] angstrom in the cif file. | data_image0
_chemical_formula_structural CdSn3F6
_chemical_formula_sum "Cd1 Sn3 F6"
_cell_length_a 11.630125
_cell_length_b 11.66003966
_cell_length_c 20.736229490000003
_cell_angle_alpha 95.93458659999999
_cell_angle_beta 92.58664804
_cell_angle_gamma 119.17874084
_space... | data_image0
_chemical_formula_structural CdSn3F6
_chemical_formula_sum "Cd1 Sn3 F6"
_cell_length_a 11.630125
_cell_length_b 11.66003966
_cell_length_c 20.736229490000003
_cell_angle_alpha 95.93458659999999
_cell_angle_beta 92.58664804
_cell_angle_gamma 119.17874084
_space... |
MoveSelectedAtomsAction | 87c7377d-4045-4758-be99-154c84a995f2 | mp-722910 | Move atoms at indices [11, 15, 19, 14, 25, 2, 13, 29, 5, 9, 12, 16, 1, 8, 30, 23, 27, 3, 24, 22, 7, 6, 0, 17, 28, 20] by [-2.465 1.232 -1.895] angstrom in the cif file. | data_image0
_chemical_formula_structural K4B12H10N2O4
_chemical_formula_sum "K4 B12 H10 N2 O4"
_cell_length_a 9.0225729
_cell_length_b 9.0225729
_cell_length_c 8.219378
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.79420608
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4B12H10N2O4
_chemical_formula_sum "K4 B12 H10 N2 O4"
_cell_length_a 9.0225729
_cell_length_b 9.0225729
_cell_length_c 8.219378
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.79420608
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 268a56d0-02ef-4a25-b20a-382e345cf38d | mp-1194576 | Move atoms at indices [31, 5, 29, 15, 10, 8, 2, 22, 49, 33, 3, 28, 46, 6, 19, 39, 1, 43, 21, 55, 45, 26, 7, 54, 53, 16, 37, 23, 47, 14, 48, 52, 41, 11, 35, 9, 24, 38, 50, 0, 30, 32, 27, 13, 4, 25] by [-3.625 1.454 1.315] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb12Sb8Br36
_chemical_formula_sum "Rb12 Sb8 Br36"
_cell_length_a 7.68782753
_cell_length_b 13.69578094
_cell_length_c 19.48151806
_cell_angle_alpha 89.05068551
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Rb12Sb8Br36
_chemical_formula_sum "Rb12 Sb8 Br36"
_cell_length_a 7.68782753
_cell_length_b 13.69578094
_cell_length_c 19.48151806
_cell_angle_alpha 89.05068551
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 63069840-83b0-440e-8385-80c882caf84d | mp-779404 | Move atoms at indices [18, 79, 23, 37, 43, 19, 76, 62, 59, 21, 75, 5, 36, 11, 51, 32, 61, 71, 60, 45, 66, 68, 70, 29, 54, 47, 55, 26, 57, 74, 25, 34, 41, 2, 46, 27, 22, 40, 65, 9, 69, 12, 30, 42, 1, 16, 78, 52, 77, 67, 33, 50, 63, 6, 15, 58, 28, 3, 0, 53, 73, 49, 35, 17, 13, 48, 44, 14, 39, 4, 56, 38, 72, 64, 31, 10] b... | data_image0
_chemical_formula_structural Li12Cr8As12O48
_chemical_formula_sum "Li12 Cr8 As12 O48"
_cell_length_a 10.51052944
_cell_length_b 10.51052944
_cell_length_c 10.51052944
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_... | data_image0
_chemical_formula_structural Li12Cr8As12O48
_chemical_formula_sum "Li12 Cr8 As12 O48"
_cell_length_a 10.51052944
_cell_length_b 10.51052944
_cell_length_c 10.51052944
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_... |
MoveSelectedAtomsAction | c5be1a87-81c6-44b0-a189-e44825b8d2fb | mp-29817 | Move atoms at indices [78, 21, 72, 62, 49, 87, 8, 3, 25, 17, 9, 64, 54, 13, 10, 22, 1, 28, 79, 27, 90, 44, 48, 5, 83, 37, 69, 73, 94, 29, 53, 39, 31, 81, 26, 24, 42, 6, 66, 61, 56, 93, 7, 88, 23, 16, 14, 71, 51, 43, 68, 65, 30, 89, 38, 86, 77, 95, 19, 85, 70, 46, 11, 40, 50, 15, 0, 91, 75] by [ 1.996 -1.953 -4.575] ang... | data_image0
_chemical_formula_structural Ga8P16I72
_chemical_formula_sum "Ga8 P16 I72"
_cell_length_a 11.478636
_cell_length_b 18.887677
_cell_length_c 21.713497
_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 Ga8P16I72
_chemical_formula_sum "Ga8 P16 I72"
_cell_length_a 11.478636
_cell_length_b 18.887677
_cell_length_c 21.713497
_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 | d81b2d3f-0fc3-4343-813e-a6cb002c7bfd | mp-763831 | Move atoms at indices [7, 5, 0] by [ 3.905 -4.154 1.622] angstrom in the cif file. | data_image0
_chemical_formula_structural Li16Mn2O8F4
_chemical_formula_sum "Li16 Mn2 O8 F4"
_cell_length_a 5.68516989
_cell_length_b 5.68516989
_cell_length_c 10.88214
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.47845378000001
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li16Mn2O8F4
_chemical_formula_sum "Li16 Mn2 O8 F4"
_cell_length_a 5.68516989
_cell_length_b 5.68516989
_cell_length_c 10.88214
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.47845378000001
_space_group_name_H-M_... |
MoveSelectedAtomsAction | 89b02c8c-8e70-4606-a67e-e831ac271f8a | mp-758458 | Move atoms at indices [40, 18, 17, 39, 2, 66, 59, 21, 54, 16, 46, 63, 7, 30, 14, 34, 36, 10, 32, 62, 71, 67, 15, 45, 22, 35, 23, 61, 6, 57, 19, 33, 5, 0, 27, 11, 4, 43, 28, 29, 44, 8, 65, 53, 68, 26, 38, 56, 31, 69, 3, 13] by [ 3.325 0.343 -3.231] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V4P16O48
_chemical_formula_sum "Li4 V4 P16 O48"
_cell_length_a 8.879103
_cell_length_b 7.147007
_cell_length_c 15.863987029999999
_cell_angle_alpha 64.71297704
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Li4V4P16O48
_chemical_formula_sum "Li4 V4 P16 O48"
_cell_length_a 8.879103
_cell_length_b 7.147007
_cell_length_c 15.863987029999999
_cell_angle_alpha 64.71297704
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
MoveSelectedAtomsAction | e8c99628-f641-43d9-a0cc-d1070dd64441 | mp-1028186 | Move atoms at indices [13, 10, 8, 3, 15, 0, 4, 1, 11, 2, 6] by [-0.206 0.221 -4.21 ] angstrom in the cif file. | data_image0
_chemical_formula_structural NaCaMg14
_chemical_formula_sum "Na1 Ca1 Mg14"
_cell_length_a 6.57203517
_cell_length_b 6.55068295
_cell_length_c 10.53355028
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.89258933
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural NaCaMg14
_chemical_formula_sum "Na1 Ca1 Mg14"
_cell_length_a 6.57203517
_cell_length_b 6.55068295
_cell_length_c 10.53355028
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.89258933
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | c41e3092-ff69-4520-b240-165b210c47b8 | mp-1225618 | Move atoms at indices [0] by [ 0.844 1.875 -0.065] angstrom in the cif file. | data_image0
_chemical_formula_structural Er2Ga6Cu11
_chemical_formula_sum "Er2 Ga6 Cu11"
_cell_length_a 6.56066199
_cell_length_b 6.560661990000001
_cell_length_c 6.5606616
_cell_angle_alpha 83.56990939999999
_cell_angle_beta 83.56990939999999
_cell_angle_gamma 83.56991377... | data_image0
_chemical_formula_structural Er2Ga6Cu11
_chemical_formula_sum "Er2 Ga6 Cu11"
_cell_length_a 6.56066199
_cell_length_b 6.560661990000001
_cell_length_c 6.5606616
_cell_angle_alpha 83.56990939999999
_cell_angle_beta 83.56990939999999
_cell_angle_gamma 83.56991377... |
MoveSelectedAtomsAction | abe2bffc-3f6c-4d44-975a-72c38f1528ec | mp-22781 | Move atoms at indices [10, 19, 26, 17, 23, 27, 5, 22, 9, 12, 2, 25, 18, 8, 24, 0, 13, 1, 4, 3, 20, 7, 16, 21, 15] by [ 0.48 -1.504 1.984] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn8Ge4O16
_chemical_formula_sum "Mn8 Ge4 O16"
_cell_length_a 8.178338
_cell_length_b 8.178338
_cell_length_c 8.178338
_cell_angle_alpha 136.07069021
_cell_angle_beta 114.18747095
_cell_angle_gamma 82.53503784
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Mn8Ge4O16
_chemical_formula_sum "Mn8 Ge4 O16"
_cell_length_a 8.178338
_cell_length_b 8.178338
_cell_length_c 8.178338
_cell_angle_alpha 136.07069021
_cell_angle_beta 114.18747095
_cell_angle_gamma 82.53503784
_space_group_name_H-M_... |
MoveSelectedAtomsAction | fade164c-1ac8-4962-bf5a-d260744a13b3 | mp-1215240 | Move atoms at indices [4, 7, 1, 11, 5, 10, 6, 0] by [-1.631 -0.158 0.813] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr4Ti4Pd4
_chemical_formula_sum "Zr4 Ti4 Pd4"
_cell_length_a 5.3695121
_cell_length_b 5.48048527
_cell_length_c 8.698884
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.66137671999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Zr4Ti4Pd4
_chemical_formula_sum "Zr4 Ti4 Pd4"
_cell_length_a 5.3695121
_cell_length_b 5.48048527
_cell_length_c 8.698884
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.66137671999999
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | b54a2a96-f3eb-4fe5-a842-f40f59954bd1 | mp-1219272 | Move atoms at indices [23, 14, 17, 31, 39, 41, 12, 30, 32, 8, 7, 4, 2, 25, 19, 35, 37, 20, 13, 22, 34, 38, 27, 11, 21, 3, 33, 9, 18, 36, 10, 6, 24, 29, 0, 15, 28, 40, 1, 16, 5] by [ 1.635 3.269 -0.375] angstrom in the cif file. | data_image0
_chemical_formula_structural Sm4CrFe33C4
_chemical_formula_sum "Sm4 Cr1 Fe33 C4"
_cell_length_a 6.50403639
_cell_length_b 6.48021192
_cell_length_c 13.00634797
_cell_angle_alpha 83.55663481
_cell_angle_beta 83.5493849
_cell_angle_gamma 83.68356637
_space_group... | data_image0
_chemical_formula_structural Sm4CrFe33C4
_chemical_formula_sum "Sm4 Cr1 Fe33 C4"
_cell_length_a 6.50403639
_cell_length_b 6.48021192
_cell_length_c 13.00634797
_cell_angle_alpha 83.55663481
_cell_angle_beta 83.5493849
_cell_angle_gamma 83.68356637
_space_group... |
MoveSelectedAtomsAction | 2501224c-1e91-43b2-9cb8-0dd48b171700 | mp-1033845 | Move atoms at indices [8, 31, 17, 7, 15, 4, 11, 21] by [ 0.059 -3.744 -0.468] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14BCO16
_chemical_formula_sum "Mg14 B1 C1 O16"
_cell_length_a 8.50440118
_cell_length_b 8.50440118
_cell_length_c 4.19993262
_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 Mg14BCO16
_chemical_formula_sum "Mg14 B1 C1 O16"
_cell_length_a 8.50440118
_cell_length_b 8.50440118
_cell_length_c 4.19993262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveSelectedAtomsAction | 0f0c4ba9-0c2e-4d0e-93f6-449f682d2e16 | mp-558208 | Move atoms at indices [34, 0, 15, 18, 3, 21, 29, 30, 2, 8, 19, 11, 4, 25, 16, 43, 28, 33, 7, 13, 36, 9, 35, 17, 41, 14, 5, 27, 37, 39, 1, 24, 40, 22, 31, 20, 26, 6, 32, 12] by [0.047 0.33 0.54 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb4In4As8O28
_chemical_formula_sum "Rb4 In4 As8 O28"
_cell_length_a 7.998615
_cell_length_b 8.86373573
_cell_length_c 10.69576725
_cell_angle_alpha 91.16349427
_cell_angle_beta 89.94365113
_cell_angle_gamma 105.73091060000002
_spac... | data_image0
_chemical_formula_structural Rb4In4As8O28
_chemical_formula_sum "Rb4 In4 As8 O28"
_cell_length_a 7.998615
_cell_length_b 8.86373573
_cell_length_c 10.69576725
_cell_angle_alpha 91.16349427
_cell_angle_beta 89.94365113
_cell_angle_gamma 105.73091060000002
_spac... |
MoveSelectedAtomsAction | 3839fb60-2b6c-446a-8ce1-d1c2d1a94829 | mp-771733 | Move atoms at indices [6, 4] by [-0.399 -3.637 -0.692] angstrom in the cif file. | data_image0
_chemical_formula_structural Li3MgV8O16
_chemical_formula_sum "Li3 Mg1 V8 O16"
_cell_length_a 5.99800606
_cell_length_b 5.99800606
_cell_length_c 10.32123589
_cell_angle_alpha 74.18392686
_cell_angle_beta 74.18392686
_cell_angle_gamma 60.4045385
_space_group_n... | data_image0
_chemical_formula_structural Li3MgV8O16
_chemical_formula_sum "Li3 Mg1 V8 O16"
_cell_length_a 5.99800606
_cell_length_b 5.99800606
_cell_length_c 10.32123589
_cell_angle_alpha 74.18392686
_cell_angle_beta 74.18392686
_cell_angle_gamma 60.4045385
_space_group_n... |
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