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 | d5a83249-7e31-4b4e-8514-2553de2e9c72 | mp-1185821 | Move atoms at indices [0, 33, 53, 31, 39, 18, 40, 8, 28, 47, 49, 52, 43, 51, 48, 55, 44, 5] by [ 0.143 -3.004 1.476] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg16Ni8H32
_chemical_formula_sum "Mg16 Ni8 H32"
_cell_length_a 6.36824
_cell_length_b 6.455967
_cell_length_c 13.102415
_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 Mg16Ni8H32
_chemical_formula_sum "Mg16 Ni8 H32"
_cell_length_a 6.36824
_cell_length_b 6.455967
_cell_length_c 13.102415
_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 | fd9e9453-2228-4c09-8417-9f8452428ab1 | mp-777622 | Move atoms at indices [19] by [ 0.697 -1.72 0.617] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Fe4F12
_chemical_formula_sum "Li4 Fe4 F12"
_cell_length_a 5.272201
_cell_length_b 5.36776833
_cell_length_c 10.055078419999997
_cell_angle_alpha 95.35879639000001
_cell_angle_beta 100.39341786999998
_cell_angle_gamma 118.91149969... | data_image0
_chemical_formula_structural Li4Fe4F12
_chemical_formula_sum "Li4 Fe4 F12"
_cell_length_a 5.272201
_cell_length_b 5.36776833
_cell_length_c 10.055078419999997
_cell_angle_alpha 95.35879639000001
_cell_angle_beta 100.39341786999998
_cell_angle_gamma 118.91149969... |
MoveSelectedAtomsAction | 5bc2d658-a3c9-487d-9260-8e52f6a8822f | mp-758495 | Move atoms at indices [18, 25, 32, 43, 21] by [-0.343 3.083 -2.918] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Co8C8O28
_chemical_formula_sum "Li8 Co8 C8 O28"
_cell_length_a 6.246944
_cell_length_b 8.914788
_cell_length_c 10.60852576
_cell_angle_alpha 67.07172826
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li8Co8C8O28
_chemical_formula_sum "Li8 Co8 C8 O28"
_cell_length_a 6.246944
_cell_length_b 8.914788
_cell_length_c 10.60852576
_cell_angle_alpha 67.07172826
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | 5a39212c-822f-4778-8b3b-c85a9d7a4320 | mp-1026788 | Move atoms at indices [9, 14, 12, 7, 5, 11, 1, 13] by [-4.263 2.525 -2.069] angstrom in the cif file. | data_image0
_chemical_formula_structural LaMg14Ga
_chemical_formula_sum "La1 Mg14 Ga1"
_cell_length_a 6.54181914
_cell_length_b 6.54181858
_cell_length_c 10.3752619
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000281
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural LaMg14Ga
_chemical_formula_sum "La1 Mg14 Ga1"
_cell_length_a 6.54181914
_cell_length_b 6.54181858
_cell_length_c 10.3752619
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000281
_space_group_name_H-M_alt "P... |
MoveSelectedAtomsAction | 4b1cf541-0025-435a-afc3-70b84bbc234a | mp-1193800 | Move atoms at indices [17, 18, 0, 24, 13, 25, 22, 23, 19, 21, 15, 6, 27, 5, 2, 26] by [0.391 2.404 0.86 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Hf18Re8Se2
_chemical_formula_sum "Hf18 Re8 Se2"
_cell_length_a 8.65926571
_cell_length_b 8.65926571
_cell_length_c 8.616004
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999779
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Hf18Re8Se2
_chemical_formula_sum "Hf18 Re8 Se2"
_cell_length_a 8.65926571
_cell_length_b 8.65926571
_cell_length_c 8.616004
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999779
_space_group_name_H-M_alt "P... |
MoveSelectedAtomsAction | fa05fb5b-c8b8-46d5-aa1d-bc007f5bd0f4 | mp-1227353 | Move atoms at indices [5, 3, 8, 0] by [ 3.087 -3.284 -1.65 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ce4Ni2Sn4Pt2
_chemical_formula_sum "Ce4 Ni2 Sn4 Pt2"
_cell_length_a 4.577046
_cell_length_b 7.381462
_cell_length_c 7.916191
_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 Ce4Ni2Sn4Pt2
_chemical_formula_sum "Ce4 Ni2 Sn4 Pt2"
_cell_length_a 4.577046
_cell_length_b 7.381462
_cell_length_c 7.916191
_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 | de1bc825-534d-42d1-8807-e97942e93e3f | mp-752785 | Move atoms at indices [2, 7, 10, 3, 19, 16, 13, 0, 20, 5, 8, 22, 6, 15, 18, 9, 11, 24, 14, 21] by [ 1.239 0.819 -1.118] angstrom in the cif file. | data_image0
_chemical_formula_structural Sm4U4O17
_chemical_formula_sum "Sm4 U4 O17"
_cell_length_a 9.36074547
_cell_length_b 9.360745469999998
_cell_length_c 3.835323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.25612350000002
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sm4U4O17
_chemical_formula_sum "Sm4 U4 O17"
_cell_length_a 9.36074547
_cell_length_b 9.360745469999998
_cell_length_c 3.835323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.25612350000002
_space_group_name_H-M_... |
MoveSelectedAtomsAction | 794c3ad9-38f2-4968-865a-ef030df39592 | mp-754915 | Move atoms at indices [3, 5, 1, 6, 2] by [-3.472 2.439 -1.279] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2Fe2O6
_chemical_formula_sum "Na2 Fe2 O6"
_cell_length_a 5.0819733
_cell_length_b 5.081823
_cell_length_c 6.02608011
_cell_angle_alpha 65.06173316
_cell_angle_beta 89.99959398000001
_cell_angle_gamma 59.99876032
_space_group_name... | data_image0
_chemical_formula_structural Na2Fe2O6
_chemical_formula_sum "Na2 Fe2 O6"
_cell_length_a 5.0819733
_cell_length_b 5.081823
_cell_length_c 6.02608011
_cell_angle_alpha 65.06173316
_cell_angle_beta 89.99959398000001
_cell_angle_gamma 59.99876032
_space_group_name... |
MoveSelectedAtomsAction | ac001059-111e-48b9-8a81-3d763551904e | mp-1218036 | Move atoms at indices [9, 11] by [-1.873 -1.019 -0.478] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta8VC4S8
_chemical_formula_sum "Ta8 V1 C4 S8"
_cell_length_a 9.39611043
_cell_length_b 9.39611043
_cell_length_c 9.39611066
_cell_angle_alpha 41.33561769
_cell_angle_beta 41.33561769
_cell_angle_gamma 41.33562008000001
_space_group... | data_image0
_chemical_formula_structural Ta8VC4S8
_chemical_formula_sum "Ta8 V1 C4 S8"
_cell_length_a 9.39611043
_cell_length_b 9.39611043
_cell_length_c 9.39611066
_cell_angle_alpha 41.33561769
_cell_angle_beta 41.33561769
_cell_angle_gamma 41.33562008000001
_space_group... |
MoveSelectedAtomsAction | 9b3fc14c-ab17-42f2-82ef-af9a8c944266 | mp-686085 | Move atoms at indices [34, 21, 29, 0, 16, 13, 54, 58] by [ 1.345 -0.095 -2.243] angstrom in the cif file. | data_image0
_chemical_formula_structural Sc13Cu13O33
_chemical_formula_sum "Sc13 Cu13 O33"
_cell_length_a 5.96404422
_cell_length_b 5.96404422
_cell_length_c 36.25867887
_cell_angle_alpha 87.86782069
_cell_angle_beta 87.86782069
_cell_angle_gamma 33.365060500000006
_space... | data_image0
_chemical_formula_structural Sc13Cu13O33
_chemical_formula_sum "Sc13 Cu13 O33"
_cell_length_a 5.96404422
_cell_length_b 5.96404422
_cell_length_c 36.25867887
_cell_angle_alpha 87.86782069
_cell_angle_beta 87.86782069
_cell_angle_gamma 33.365060500000006
_space... |
MoveSelectedAtomsAction | 3fe5179d-f673-457c-81b3-5fd50b3226b0 | mp-14734 | Move atoms at indices [21, 23, 8, 9, 4, 13, 19, 0, 3, 10, 7, 12, 22, 15] by [-0.796 1.861 3.094] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs4C4O4F12
_chemical_formula_sum "Cs4 C4 O4 F12"
_cell_length_a 7.69891576
_cell_length_b 5.90645137
_cell_length_c 9.42489971
_cell_angle_alpha 89.27446189
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs4C4O4F12
_chemical_formula_sum "Cs4 C4 O4 F12"
_cell_length_a 7.69891576
_cell_length_b 5.90645137
_cell_length_c 9.42489971
_cell_angle_alpha 89.27446189
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | a78e14e7-c8cd-46b7-8b71-40df88623586 | mp-755663 | Move atoms at indices [9, 8, 4, 5, 12, 0] by [-0.441 -0.109 -0.933] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta4Pb4O14
_chemical_formula_sum "Ta4 Pb4 O14"
_cell_length_a 13.63450404
_cell_length_b 13.63450404
_cell_length_c 5.8182024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 163.23215469999997
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ta4Pb4O14
_chemical_formula_sum "Ta4 Pb4 O14"
_cell_length_a 13.63450404
_cell_length_b 13.63450404
_cell_length_c 5.8182024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 163.23215469999997
_space_group_name_H-M_al... |
MoveSelectedAtomsAction | dcd55d72-c375-4a86-a55f-dc97d3517e1f | mp-21683 | Move atoms at indices [21, 9, 2, 28, 23, 26, 18, 17, 22, 19, 25, 11, 10, 24, 7, 16, 3, 13, 6, 12, 14, 20, 27] by [-1.432 -1.679 -2.418] angstrom in the cif file. | data_image0
_chemical_formula_structural In2Ni21P6
_chemical_formula_sum "In2 Ni21 P6"
_cell_length_a 7.77586642
_cell_length_b 7.77599951
_cell_length_c 7.77597427
_cell_angle_alpha 60.00484206
_cell_angle_beta 60.00602950999999
_cell_angle_gamma 60.00580611000001
_space... | data_image0
_chemical_formula_structural In2Ni21P6
_chemical_formula_sum "In2 Ni21 P6"
_cell_length_a 7.77586642
_cell_length_b 7.77599951
_cell_length_c 7.77597427
_cell_angle_alpha 60.00484206
_cell_angle_beta 60.00602950999999
_cell_angle_gamma 60.00580611000001
_space... |
MoveSelectedAtomsAction | 2cdb150d-d29a-43ab-86e0-e7abf9a0fffe | mp-1196179 | Move atoms at indices [40, 50, 7, 30, 16, 6, 4, 33, 11, 22, 43, 46, 20, 1] by [-1.644 0.227 2.965] angstrom in the cif file. | data_image0
_chemical_formula_structural Tm16Cr8S32
_chemical_formula_sum "Tm16 Cr8 S32"
_cell_length_a 7.410917
_cell_length_b 12.50779
_cell_length_c 12.383987
_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 Tm16Cr8S32
_chemical_formula_sum "Tm16 Cr8 S32"
_cell_length_a 7.410917
_cell_length_b 12.50779
_cell_length_c 12.383987
_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 | fb3137f2-f779-4614-a1be-76fa1f02534b | mp-1221008 | Move atoms at indices [7, 10, 3, 68, 23, 4, 77, 44, 22, 18, 19, 58, 11, 9, 61, 43, 69, 32, 34, 30, 28, 5, 41, 63, 26, 24, 76, 72, 1, 2, 25, 12, 47, 50, 56, 46, 6, 15, 27, 48, 38, 36, 20, 57, 14, 78, 40, 73, 13, 16, 80, 54, 70, 39, 53, 67, 74, 37, 75, 71, 55, 59, 66, 33, 79, 64, 49, 51, 31, 45, 17, 42, 35, 81, 62, 8, 29... | data_image0
_chemical_formula_structural Nd9Ni24Sn49
_chemical_formula_sum "Nd9 Ni24 Sn49"
_cell_length_a 10.40052865
_cell_length_b 10.40052865
_cell_length_c 17.11282481
_cell_angle_alpha 89.88282626
_cell_angle_beta 89.88282626
_cell_angle_gamma 70.72407511
_space_grou... | data_image0
_chemical_formula_structural Nd9Ni24Sn49
_chemical_formula_sum "Nd9 Ni24 Sn49"
_cell_length_a 10.40052865
_cell_length_b 10.40052865
_cell_length_c 17.11282481
_cell_angle_alpha 89.88282626
_cell_angle_beta 89.88282626
_cell_angle_gamma 70.72407511
_space_grou... |
MoveSelectedAtomsAction | e8050400-0745-4f76-beb6-bc65d2b68c03 | mp-1182799 | Move atoms at indices [25, 16, 28, 24, 23, 3, 1, 7, 30, 18, 13, 10, 8, 6, 12, 19, 4, 31, 0, 9, 2, 15, 14, 29, 17, 20, 27, 22, 21, 11, 26, 5] by [ 2.554 -0.885 1.631] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Si4H8O16
_chemical_formula_sum "Ca4 Si4 H8 O16"
_cell_length_a 11.8266484
_cell_length_b 9.86852666
_cell_length_c 15.19174507
_cell_angle_alpha 51.09540739000001
_cell_angle_beta 40.49250019
_cell_angle_gamma 88.41209242000001
... | data_image0
_chemical_formula_structural Ca4Si4H8O16
_chemical_formula_sum "Ca4 Si4 H8 O16"
_cell_length_a 11.8266484
_cell_length_b 9.86852666
_cell_length_c 15.19174507
_cell_angle_alpha 51.09540739000001
_cell_angle_beta 40.49250019
_cell_angle_gamma 88.41209242000001
... |
MoveSelectedAtomsAction | 8880b4a3-30c2-4c48-8dcc-3ef4b6c4b44a | mp-1027815 | Move atoms at indices [7, 4, 12, 3, 10, 0, 15, 14, 6, 5, 2, 8, 1, 13, 9, 11] by [ 0.324 2.584 -1.024] angstrom in the cif file. | data_image0
_chemical_formula_structural KMg14Co
_chemical_formula_sum "K1 Mg14 Co1"
_cell_length_a 6.33349415
_cell_length_b 6.33349365
_cell_length_c 10.48663987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000266
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural KMg14Co
_chemical_formula_sum "K1 Mg14 Co1"
_cell_length_a 6.33349415
_cell_length_b 6.33349365
_cell_length_c 10.48663987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000266
_space_group_name_H-M_alt "P ... |
MoveSelectedAtomsAction | 4f9ae178-a17b-4fbd-8b47-c1d08986917f | mp-8762 | Move atoms at indices [19, 14, 12, 4, 7, 17, 16] by [-1.192 0.488 1.061] angstrom in the cif file. | data_image0
_chemical_formula_structural Er8S8O4
_chemical_formula_sum "Er8 S8 O4"
_cell_length_a 6.79738802
_cell_length_b 6.78756073
_cell_length_c 8.18333571
_cell_angle_alpha 80.45408257
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Er8S8O4
_chemical_formula_sum "Er8 S8 O4"
_cell_length_a 6.79738802
_cell_length_b 6.78756073
_cell_length_c 8.18333571
_cell_angle_alpha 80.45408257
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveSelectedAtomsAction | cd9b0ec7-657f-4518-af55-dd1b25527aca | mp-1188640 | Move atoms at indices [2, 0, 11, 10, 16, 14, 15, 8, 12, 6, 3, 1] by [-1.611 3.28 1.758] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr10Sn6As2
_chemical_formula_sum "Zr10 Sn6 As2"
_cell_length_a 8.66441951
_cell_length_b 8.66441951
_cell_length_c 5.95940015
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000950999998
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Zr10Sn6As2
_chemical_formula_sum "Zr10 Sn6 As2"
_cell_length_a 8.66441951
_cell_length_b 8.66441951
_cell_length_c 5.95940015
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000950999998
_space_group_name_H-M_a... |
MoveSelectedAtomsAction | 4e046200-2ffd-4062-80ea-b040d16a41d3 | mp-887412 | Move atoms at indices [37, 17, 2, 21, 15, 38, 60, 3, 20, 26, 8, 64, 33, 58, 13, 69, 42, 9, 24, 1, 29, 44, 14, 79, 68, 70, 39, 35, 67, 4, 54, 59, 11, 50, 23, 56, 27, 18, 57, 72, 0, 65, 52, 62, 22, 5, 61, 36, 43, 63, 78, 73, 12, 46, 53] by [-1.025 -0.174 1.325] angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Mn2V6P12O48
_chemical_formula_sum "Li12 Mn2 V6 P12 O48"
_cell_length_a 8.7929821
_cell_length_b 8.7929821
_cell_length_c 14.49430022
_cell_angle_alpha 73.87592186
_cell_angle_beta 73.87592186
_cell_angle_gamma 60.64011866
_spac... | data_image0
_chemical_formula_structural Li12Mn2V6P12O48
_chemical_formula_sum "Li12 Mn2 V6 P12 O48"
_cell_length_a 8.7929821
_cell_length_b 8.7929821
_cell_length_c 14.49430022
_cell_angle_alpha 73.87592186
_cell_angle_beta 73.87592186
_cell_angle_gamma 60.64011866
_spac... |
MoveSelectedAtomsAction | af73107b-7b78-4154-ba0e-2f16da2a13a3 | mp-1199467 | Move atoms at indices [10, 1, 35, 34, 11, 19, 0, 21, 27, 33, 16, 23, 12, 31, 18, 14, 2, 17, 32, 9, 3, 6, 25, 8, 28, 29, 5, 26, 30, 7, 13, 15, 4, 24, 20] by [-4.215 -1.106 -3.378] angstrom in the cif file. | data_image0
_chemical_formula_structural Lu20Ge16
_chemical_formula_sum "Lu20 Ge16"
_cell_length_a 7.36423847
_cell_length_b 7.46203221
_cell_length_c 14.16995855
_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 Lu20Ge16
_chemical_formula_sum "Lu20 Ge16"
_cell_length_a 7.36423847
_cell_length_b 7.46203221
_cell_length_c 14.16995855
_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 | c7de197d-5d48-4614-8d16-45a4261ff475 | mp-973966 | Move atoms at indices [4] by [ 0.776 -1.263 1.835] angstrom in the cif file. | data_image0
_chemical_formula_structural LiInI4O12
_chemical_formula_sum "Li1 In1 I4 O12"
_cell_length_a 4.978049
_cell_length_b 6.59234209
_cell_length_c 8.69573854
_cell_angle_alpha 84.86997898999999
_cell_angle_beta 89.19318945
_cell_angle_gamma 89.32749808
_space_grou... | data_image0
_chemical_formula_structural LiInI4O12
_chemical_formula_sum "Li1 In1 I4 O12"
_cell_length_a 4.978049
_cell_length_b 6.59234209
_cell_length_c 8.69573854
_cell_angle_alpha 84.86997898999999
_cell_angle_beta 89.19318945
_cell_angle_gamma 89.32749808
_space_grou... |
MoveSelectedAtomsAction | 4b269657-03d0-4acf-9e96-acb98c122381 | mp-1032871 | Move atoms at indices [9, 5, 14, 3, 11] by [1.909 0.137 1.358] angstrom in the cif file. | data_image0
_chemical_formula_structural HfMg6AlO8
_chemical_formula_sum "Hf1 Mg6 Al1 O8"
_cell_length_a 8.96578721
_cell_length_b 4.34838229
_cell_length_c 4.34838229
_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 HfMg6AlO8
_chemical_formula_sum "Hf1 Mg6 Al1 O8"
_cell_length_a 8.96578721
_cell_length_b 4.34838229
_cell_length_c 4.34838229
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveSelectedAtomsAction | d1b1cd00-c4c6-4704-84be-7324b12cff5d | mp-2215839 | Move atoms at indices [1, 3, 4, 2, 5, 0] by [2.115 1.455 1.878] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2MgZrCrO6
_chemical_formula_sum "Sr2 Mg1 Zr1 Cr1 O6"
_cell_length_a 6.85052586
_cell_length_b 5.67316694
_cell_length_c 5.44648374
_cell_angle_alpha 90.22336113
_cell_angle_beta 118.44826585999999
_cell_angle_gamma 114.57133378999... | data_image0
_chemical_formula_structural Sr2MgZrCrO6
_chemical_formula_sum "Sr2 Mg1 Zr1 Cr1 O6"
_cell_length_a 6.85052586
_cell_length_b 5.67316694
_cell_length_c 5.44648374
_cell_angle_alpha 90.22336113
_cell_angle_beta 118.44826585999999
_cell_angle_gamma 114.57133378999... |
MoveSelectedAtomsAction | 222b2c75-73bb-4b92-80df-f667fdee7115 | mp-763659 | Move atoms at indices [12, 0, 11, 4, 5, 14, 10, 9] by [ 1.501 -1.092 -0.848] angstrom in the cif file. | data_image0
_chemical_formula_structural Li3V2Fe2O8
_chemical_formula_sum "Li3 V2 Fe2 O8"
_cell_length_a 5.944184
_cell_length_b 5.94678724
_cell_length_c 5.96933376
_cell_angle_alpha 60.42632462
_cell_angle_beta 60.49654353999999
_cell_angle_gamma 60.51743515999999
_spac... | data_image0
_chemical_formula_structural Li3V2Fe2O8
_chemical_formula_sum "Li3 V2 Fe2 O8"
_cell_length_a 5.944184
_cell_length_b 5.94678724
_cell_length_c 5.96933376
_cell_angle_alpha 60.42632462
_cell_angle_beta 60.49654353999999
_cell_angle_gamma 60.51743515999999
_spac... |
MoveSelectedAtomsAction | 0bf8fd10-55d4-4c2d-bd69-98c5d32db294 | mp-1227077 | Move atoms at indices [36, 25, 10, 7, 29, 11] by [-2.347 -1.133 0.971] angstrom in the cif file. | data_image0
_chemical_formula_structural Cd43Pd8
_chemical_formula_sum "Cd43 Pd8"
_cell_length_a 10.05017333
_cell_length_b 10.050173330000002
_cell_length_c 10.05017369
_cell_angle_alpha 90.10168299999998
_cell_angle_beta 90.10168299999998
_cell_angle_gamma 90.10168413000... | data_image0
_chemical_formula_structural Cd43Pd8
_chemical_formula_sum "Cd43 Pd8"
_cell_length_a 10.05017333
_cell_length_b 10.050173330000002
_cell_length_c 10.05017369
_cell_angle_alpha 90.10168299999998
_cell_angle_beta 90.10168299999998
_cell_angle_gamma 90.10168413000... |
MoveSelectedAtomsAction | aa3d3886-d1f2-4f62-a02e-b556e8a1260d | mp-1229311 | Move atoms at indices [14, 74, 16, 23, 77, 61, 9, 52, 73, 36, 57, 30, 42, 37, 83, 21, 68, 13, 15, 6, 46, 67, 80, 76, 79, 82, 4, 34, 66, 48, 71, 19, 8, 33, 65, 45, 44, 29] by [ 1.73 -0.664 1.319] angstrom in the cif file. | data_image0
_chemical_formula_structural Ag5Sb23Pb12S48
_chemical_formula_sum "Ag5 Sb23 Pb12 S48"
_cell_length_a 8.695419
_cell_length_b 13.29602981
_cell_length_c 19.62485344
_cell_angle_alpha 90.29708353
_cell_angle_beta 90.02236377
_cell_angle_gamma 90.18961982
_space_... | data_image0
_chemical_formula_structural Ag5Sb23Pb12S48
_chemical_formula_sum "Ag5 Sb23 Pb12 S48"
_cell_length_a 8.695419
_cell_length_b 13.29602981
_cell_length_c 19.62485344
_cell_angle_alpha 90.29708353
_cell_angle_beta 90.02236377
_cell_angle_gamma 90.18961982
_space_... |
MoveSelectedAtomsAction | d9d7bcd8-eb1a-421c-afe2-5320992b9805 | mp-1173734 | Move atoms at indices [36, 30, 11, 2, 24, 0, 1, 34, 8, 19, 6, 20, 35, 29, 38, 23, 25, 27, 32, 10, 4, 14, 17] by [ 3.716 -2.766 4.209] angstrom in the cif file. | data_image0
_chemical_formula_structural NaCa3Fe4Si8O24
_chemical_formula_sum "Na1 Ca3 Fe4 Si8 O24"
_cell_length_a 7.70031409
_cell_length_b 7.700314089999999
_cell_length_c 9.98506993
_cell_angle_alpha 62.79150036
_cell_angle_beta 62.79150036
_cell_angle_gamma 72.03905514... | data_image0
_chemical_formula_structural NaCa3Fe4Si8O24
_chemical_formula_sum "Na1 Ca3 Fe4 Si8 O24"
_cell_length_a 7.70031409
_cell_length_b 7.700314089999999
_cell_length_c 9.98506993
_cell_angle_alpha 62.79150036
_cell_angle_beta 62.79150036
_cell_angle_gamma 72.03905514... |
MoveSelectedAtomsAction | c5aa6d80-0b68-45d1-8366-29fc580c9349 | mp-1182238 | Move atoms at indices [0, 21, 7, 19, 13, 3, 10, 11] by [-1.899 -1.264 1.917] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba8O16
_chemical_formula_sum "Ba8 O16"
_cell_length_a 5.825256
_cell_length_b 7.683604
_cell_length_c 11.12830026
_cell_angle_alpha 90.0
_cell_angle_beta 121.17026293
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Ba8O16
_chemical_formula_sum "Ba8 O16"
_cell_length_a 5.825256
_cell_length_b 7.683604
_cell_length_c 11.12830026
_cell_angle_alpha 90.0
_cell_angle_beta 121.17026293
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
MoveSelectedAtomsAction | 91c52d9e-4f9f-490e-90d1-4d381351906e | mp-15539 | Move atoms at indices [40, 21, 41, 69, 52, 31, 37, 43, 83, 50, 47, 71, 70, 7, 75, 74, 23, 79, 6, 1, 57, 3, 61, 26, 81, 56, 0, 63, 35, 12, 65, 13, 30, 44, 9, 17, 46, 18, 53, 73, 80, 11, 55, 29, 8, 62, 16, 2, 78, 77, 4, 48, 76, 58, 42, 14, 20, 60] by [-1.364 -0.055 -5.702] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Mn8Be12Si12O48
_chemical_formula_sum "Ca4 Mn8 Be12 Si12 O48"
_cell_length_a 7.691233
_cell_length_b 8.175307
_cell_length_c 16.38163346
_cell_angle_alpha 60.03639652
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Ca4Mn8Be12Si12O48
_chemical_formula_sum "Ca4 Mn8 Be12 Si12 O48"
_cell_length_a 7.691233
_cell_length_b 8.175307
_cell_length_c 16.38163346
_cell_angle_alpha 60.03639652
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
MoveSelectedAtomsAction | 170050af-10f2-4853-b077-a30a01625dcf | mp-5996 | Move atoms at indices [58, 29, 37, 18] by [ 1.728 1.869 -0.219] angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Ti8Si8O36
_chemical_formula_sum "Na8 Ti8 Si8 O36"
_cell_length_a 5.287007
_cell_length_b 8.797689
_cell_length_c 14.734708
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Na8Ti8Si8O36
_chemical_formula_sum "Na8 Ti8 Si8 O36"
_cell_length_a 5.287007
_cell_length_b 8.797689
_cell_length_c 14.734708
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
MoveSelectedAtomsAction | 3e0586b0-aeff-4bd6-9900-eb131c3d217e | mp-510 | Move atoms at indices [38, 10, 39, 26, 17, 36, 15, 23, 31, 40, 14, 43, 18, 12, 47, 37, 0, 7] by [-1.818 -2.007 2.609] 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 | a5879eaa-5dd0-4625-95de-df99c91fe26d | mp-1200475 | Move atoms at indices [8, 25, 44, 16, 0, 43, 30, 49, 3, 13, 19, 26, 12, 31, 15, 34, 27, 41, 2, 42, 7, 46, 14, 20, 23, 48, 47, 21, 24, 17, 32, 29, 51, 1, 40, 28, 4, 9, 5, 37] by [-0.37 -1.073 -2.851] angstrom in the cif file. | data_image0
_chemical_formula_structural U2B16O34
_chemical_formula_sum "U2 B16 O34"
_cell_length_a 8.97706869
_cell_length_b 8.97706869
_cell_length_c 11.125183349999999
_cell_angle_alpha 89.98961474
_cell_angle_beta 89.98961474
_cell_angle_gamma 136.85945971
_space_grou... | data_image0
_chemical_formula_structural U2B16O34
_chemical_formula_sum "U2 B16 O34"
_cell_length_a 8.97706869
_cell_length_b 8.97706869
_cell_length_c 11.125183349999999
_cell_angle_alpha 89.98961474
_cell_angle_beta 89.98961474
_cell_angle_gamma 136.85945971
_space_grou... |
MoveSelectedAtomsAction | a938e983-410c-4ace-b1a3-23321387fc55 | mp-1103787 | Move atoms at indices [11] by [ 0.264 -0.296 -0.238] angstrom in the cif file. | data_image0
_chemical_formula_structural Si7Ni4Au2
_chemical_formula_sum "Si7 Ni4 Au2"
_cell_length_a 6.65277734
_cell_length_b 6.65277734
_cell_length_c 7.943236350000001
_cell_angle_alpha 70.83827778000001
_cell_angle_beta 70.83827778000001
_cell_angle_gamma 32.802062200... | data_image0
_chemical_formula_structural Si7Ni4Au2
_chemical_formula_sum "Si7 Ni4 Au2"
_cell_length_a 6.65277734
_cell_length_b 6.65277734
_cell_length_c 7.943236350000001
_cell_angle_alpha 70.83827778000001
_cell_angle_beta 70.83827778000001
_cell_angle_gamma 32.802062200... |
MoveSelectedAtomsAction | 7f486bd5-6553-4117-9dce-23a263912b0d | mp-1110608 | Move atoms at indices [4, 0, 6, 2] by [ 0.812 -0.561 -1.195] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2InAgF6
_chemical_formula_sum "Rb2 In1 Ag1 F6"
_cell_length_a 6.4396356
_cell_length_b 6.4396356
_cell_length_c 6.4396356
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Rb2InAgF6
_chemical_formula_sum "Rb2 In1 Ag1 F6"
_cell_length_a 6.4396356
_cell_length_b 6.4396356
_cell_length_c 6.4396356
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... |
MoveSelectedAtomsAction | b59424d7-90f8-4d06-be1f-c6bc0eb25d50 | mp-1026829 | Move atoms at indices [7, 15, 6, 9, 2, 14, 8, 0, 1, 4, 5, 13, 10, 11] by [ 0.791 -0.126 1.55 ] angstrom in the cif file. | data_image0
_chemical_formula_structural KMg14Cd
_chemical_formula_sum "K1 Mg14 Cd1"
_cell_length_a 6.52194849
_cell_length_b 6.51423648
_cell_length_c 10.5695114
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.96089757
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural KMg14Cd
_chemical_formula_sum "K1 Mg14 Cd1"
_cell_length_a 6.52194849
_cell_length_b 6.51423648
_cell_length_c 10.5695114
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.96089757
_space_group_name_H-M_alt "P 1... |
MoveSelectedAtomsAction | 43530916-739f-4306-a89d-1c32cc781af4 | mp-21787 | Move atoms at indices [8, 29, 44, 9, 15, 19, 27, 16, 21] by [-3.347 -2.754 1.539] angstrom in the cif file. | data_image0
_chemical_formula_structural O36Eu16Au8
_chemical_formula_sum "O36 Eu16 Au8"
_cell_length_a 6.18138765
_cell_length_b 11.94098349
_cell_length_c 11.99598676
_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 O36Eu16Au8
_chemical_formula_sum "O36 Eu16 Au8"
_cell_length_a 6.18138765
_cell_length_b 11.94098349
_cell_length_c 11.99598676
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveSelectedAtomsAction | 274ea9e0-f827-4b01-9f79-df1edd5e2878 | mp-1233843 | Move atoms at indices [8, 0, 14, 9, 10, 4, 11, 18, 13, 16, 6, 12, 5, 7] by [-2.479 -1.88 -1.431] angstrom in the cif file. | data_image0
_chemical_formula_structural MgCo6O2F10
_chemical_formula_sum "Mg1 Co6 O2 F10"
_cell_length_a 5.20676922
_cell_length_b 5.20369253
_cell_length_c 9.241906809999998
_cell_angle_alpha 89.57896289
_cell_angle_beta 90.10114559
_cell_angle_gamma 99.40809487
_space_... | data_image0
_chemical_formula_structural MgCo6O2F10
_chemical_formula_sum "Mg1 Co6 O2 F10"
_cell_length_a 5.20676922
_cell_length_b 5.20369253
_cell_length_c 9.241906809999998
_cell_angle_alpha 89.57896289
_cell_angle_beta 90.10114559
_cell_angle_gamma 99.40809487
_space_... |
MoveSelectedAtomsAction | 0e6560c8-cd0c-4233-8078-f44f1c76bdbf | mp-1192109 | Move atoms at indices [9, 20, 17, 0, 3, 12, 5, 14, 13] by [-2.456 -7.469 -0.518] angstrom in the cif file. | data_image0
_chemical_formula_structural K2H4PdN4O10
_chemical_formula_sum "K2 H4 Pd1 N4 O10"
_cell_length_a 6.96838542
_cell_length_b 7.225418650000001
_cell_length_c 7.49708956
_cell_angle_alpha 116.74948873
_cell_angle_beta 104.81718331
_cell_angle_gamma 97.848627799999... | data_image0
_chemical_formula_structural K2H4PdN4O10
_chemical_formula_sum "K2 H4 Pd1 N4 O10"
_cell_length_a 6.96838542
_cell_length_b 7.225418650000001
_cell_length_c 7.49708956
_cell_angle_alpha 116.74948873
_cell_angle_beta 104.81718331
_cell_angle_gamma 97.848627799999... |
MoveSelectedAtomsAction | 9b2bfb8d-1892-4782-ac3b-2ae4b6a84a83 | mp-18245 | Move atoms at indices [1, 4, 12, 20, 10, 9, 2, 23, 17, 6, 0, 8, 18, 7, 3, 24, 26, 11, 27, 25, 15, 5, 22] by [-0.451 -3.343 -3.409] angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Co4P4O16
_chemical_formula_sum "Na4 Co4 P4 O16"
_cell_length_a 5.079759
_cell_length_b 6.870334
_cell_length_c 8.975021
_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 Na4Co4P4O16
_chemical_formula_sum "Na4 Co4 P4 O16"
_cell_length_a 5.079759
_cell_length_b 6.870334
_cell_length_c 8.975021
_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 | 6aee223e-65ff-4126-b3e6-208fbb5fc4b1 | mp-1191086 | Move atoms at indices [4, 3, 16, 11, 12, 10, 19, 1] by [ 0.456 2.039 -1.839] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd2Mn3Cu9P7
_chemical_formula_sum "Nd2 Mn3 Cu9 P7"
_cell_length_a 9.52202874
_cell_length_b 9.522028740000001
_cell_length_c 3.826614
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000515
_space_group_name_H-M... | data_image0
_chemical_formula_structural Nd2Mn3Cu9P7
_chemical_formula_sum "Nd2 Mn3 Cu9 P7"
_cell_length_a 9.52202874
_cell_length_b 9.522028740000001
_cell_length_c 3.826614
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000515
_space_group_name_H-M... |
MoveSelectedAtomsAction | b1dae7cf-d715-4b5e-ac8a-d4f13245796e | mp-758497 | Move atoms at indices [16, 14, 10, 18, 5, 9, 20, 21, 13, 4, 2, 24, 8, 22, 25, 6, 11, 26, 15, 7, 12, 27, 1, 19, 0, 3, 17] by [ 2.081 0.51 -1.415] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Cu4P4O16
_chemical_formula_sum "Li4 Cu4 P4 O16"
_cell_length_a 5.773734
_cell_length_b 6.11628915
_cell_length_c 9.23422936
_cell_angle_alpha 76.39650355
_cell_angle_beta 79.36723015
_cell_angle_gamma 78.10091352
_space_group_na... | data_image0
_chemical_formula_structural Li4Cu4P4O16
_chemical_formula_sum "Li4 Cu4 P4 O16"
_cell_length_a 5.773734
_cell_length_b 6.11628915
_cell_length_c 9.23422936
_cell_angle_alpha 76.39650355
_cell_angle_beta 79.36723015
_cell_angle_gamma 78.10091352
_space_group_na... |
MoveSelectedAtomsAction | b7410880-2307-4bd1-bc1d-015cb5b960b7 | mp-1102486 | Move atoms at indices [9, 8, 6, 3, 4, 10, 7, 5, 11, 0] by [ 0.185 -2.948 1.746] angstrom in the cif file. | data_image0
_chemical_formula_structural Sm2P2O8
_chemical_formula_sum "Sm2 P2 O8"
_cell_length_a 5.83727174
_cell_length_b 5.83727174
_cell_length_c 5.83727174
_cell_angle_alpha 106.06663024999999
_cell_angle_beta 106.06663024999999
_cell_angle_gamma 116.51870327
_space_... | data_image0
_chemical_formula_structural Sm2P2O8
_chemical_formula_sum "Sm2 P2 O8"
_cell_length_a 5.83727174
_cell_length_b 5.83727174
_cell_length_c 5.83727174
_cell_angle_alpha 106.06663024999999
_cell_angle_beta 106.06663024999999
_cell_angle_gamma 116.51870327
_space_... |
MoveSelectedAtomsAction | eaa0226d-03c5-49ce-bd7a-ef22be987cad | mp-676501 | Move atoms at indices [40, 26, 24, 11, 7, 4, 41, 10, 32, 2, 31, 25, 16, 36, 22, 37, 28, 33, 9, 17, 6, 23] by [-4.201 0.146 -0.369] angstrom in the cif file. | data_image0
_chemical_formula_structural K6Sn4S6Br2O24
_chemical_formula_sum "K6 Sn4 S6 Br2 O24"
_cell_length_a 7.606706
_cell_length_b 10.424619
_cell_length_c 10.46138684
_cell_angle_alpha 60.722412909999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural K6Sn4S6Br2O24
_chemical_formula_sum "K6 Sn4 S6 Br2 O24"
_cell_length_a 7.606706
_cell_length_b 10.424619
_cell_length_c 10.46138684
_cell_angle_alpha 60.722412909999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
MoveSelectedAtomsAction | 4e2e572d-d284-4bdc-bf37-40fd48f5dee6 | mp-850998 | Move atoms at indices [17, 21, 22, 16, 20, 31, 6, 10, 2, 15, 32, 0, 3, 33, 14, 29, 9, 1, 23, 28, 27, 24, 19, 12, 4, 5, 13, 30, 7, 11, 8, 26] by [-1.292 -0.41 -0.206] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn6B6O18
_chemical_formula_sum "Li4 Mn6 B6 O18"
_cell_length_a 5.299488
_cell_length_b 5.84207002
_cell_length_c 13.32200713
_cell_angle_alpha 96.96851358
_cell_angle_beta 91.03624852000002
_cell_angle_gamma 113.55685340999999
_... | data_image0
_chemical_formula_structural Li4Mn6B6O18
_chemical_formula_sum "Li4 Mn6 B6 O18"
_cell_length_a 5.299488
_cell_length_b 5.84207002
_cell_length_c 13.32200713
_cell_angle_alpha 96.96851358
_cell_angle_beta 91.03624852000002
_cell_angle_gamma 113.55685340999999
_... |
MoveSelectedAtomsAction | 712c512d-d3ec-4e0a-8c82-079ef5bb5b2a | mp-531661 | Move atoms at indices [55, 47, 27, 24, 43, 33, 49, 40, 11, 15, 51] by [-2.807 -2.013 2.183] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd10Ti12O39
_chemical_formula_sum "Nd10 Ti12 O39"
_cell_length_a 7.273009
_cell_length_b 10.2912685
_cell_length_c 12.53064596
_cell_angle_alpha 113.59612546
_cell_angle_beta 106.80972901999999
_cell_angle_gamma 88.92613835
_space_... | data_image0
_chemical_formula_structural Nd10Ti12O39
_chemical_formula_sum "Nd10 Ti12 O39"
_cell_length_a 7.273009
_cell_length_b 10.2912685
_cell_length_c 12.53064596
_cell_angle_alpha 113.59612546
_cell_angle_beta 106.80972901999999
_cell_angle_gamma 88.92613835
_space_... |
MoveSelectedAtomsAction | a1033cce-52d9-454d-b8fa-ae1a1e47f158 | mp-777349 | Move atoms at indices [16, 11, 1, 13, 6, 2, 3] by [ 3.303 -3.172 0.954] 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 | 8992810d-8334-418a-b55b-5b289026cbcb | mp-25275 | Move atoms at indices [4] by [ 1.71 6.061 -2.468] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn4O8
_chemical_formula_sum "Mn4 O8"
_cell_length_a 5.68527742
_cell_length_b 5.68458916
_cell_length_c 5.68551593
_cell_angle_alpha 60.002615719999994
_cell_angle_beta 59.99061243
_cell_angle_gamma 60.00680398
_space_group_name_H-... | data_image0
_chemical_formula_structural Mn4O8
_chemical_formula_sum "Mn4 O8"
_cell_length_a 5.68527742
_cell_length_b 5.68458916
_cell_length_c 5.68551593
_cell_angle_alpha 60.002615719999994
_cell_angle_beta 59.99061243
_cell_angle_gamma 60.00680398
_space_group_name_H-... |
MoveSelectedAtomsAction | a48b921b-339c-4d3a-8f76-24c9792384e1 | mp-38347 | Move atoms at indices [30, 17, 10, 11, 38, 37, 40, 26, 35, 41, 18, 5, 24, 27, 22, 2, 25, 9, 32, 28, 31, 29, 14, 16, 1, 39, 13, 33, 4, 0, 19, 20, 21, 7, 12, 6] by [-4.974 -0.103 5.285] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2Pr16Se24
_chemical_formula_sum "Ca2 Pr16 Se24"
_cell_length_a 9.01322339
_cell_length_b 9.013223390000002
_cell_length_c 14.9179562
_cell_angle_alpha 72.45496723
_cell_angle_beta 72.45496723
_cell_angle_gamma 90.0395558
_space_g... | data_image0
_chemical_formula_structural Ca2Pr16Se24
_chemical_formula_sum "Ca2 Pr16 Se24"
_cell_length_a 9.01322339
_cell_length_b 9.013223390000002
_cell_length_c 14.9179562
_cell_angle_alpha 72.45496723
_cell_angle_beta 72.45496723
_cell_angle_gamma 90.0395558
_space_g... |
MoveSelectedAtomsAction | 510be23a-31fb-44e2-a789-66b0bf61453d | mp-1027965 | Move atoms at indices [13, 8, 3, 1, 14, 12, 15, 2, 11, 5, 7, 4, 6] by [-0.581 -1.357 -2.558] angstrom in the cif file. | data_image0
_chemical_formula_structural YMg14Ga
_chemical_formula_sum "Y1 Mg14 Ga1"
_cell_length_a 6.4783171
_cell_length_b 6.2636730499999995
_cell_length_c 10.37809344
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.90990617
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural YMg14Ga
_chemical_formula_sum "Y1 Mg14 Ga1"
_cell_length_a 6.4783171
_cell_length_b 6.2636730499999995
_cell_length_c 10.37809344
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.90990617
_space_group_name_H-M_alt... |
MoveSelectedAtomsAction | 3f3cab0f-7623-48f8-8531-4f5631b41b01 | mp-1045861 | Move atoms at indices [12, 16, 8, 5, 10, 22, 4, 2, 11, 1, 3, 15, 6, 14, 23, 19, 18] by [-3.776 -1.126 0.99 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2Mn9O13
_chemical_formula_sum "Ca2 Mn9 O13"
_cell_length_a 5.43810899
_cell_length_b 5.43810899
_cell_length_c 17.17977876
_cell_angle_alpha 81.35035052
_cell_angle_beta 81.35035052
_cell_angle_gamma 33.81424450000001
_space_grou... | data_image0
_chemical_formula_structural Ca2Mn9O13
_chemical_formula_sum "Ca2 Mn9 O13"
_cell_length_a 5.43810899
_cell_length_b 5.43810899
_cell_length_c 17.17977876
_cell_angle_alpha 81.35035052
_cell_angle_beta 81.35035052
_cell_angle_gamma 33.81424450000001
_space_grou... |
MoveSelectedAtomsAction | a16858fd-f427-4acd-adbb-1e2641399992 | mp-1175749 | Move atoms at indices [1, 8, 28, 10, 21, 19] by [-0.539 -0.546 -2.615] angstrom in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.941684
_cell_length_b 6.452902369999999
_cell_length_c 8.58674106
_cell_angle_alpha 82.81201373999998
_cell_angle_beta 109.37247198
_cell_angle_gamma 114.16547318... | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.941684
_cell_length_b 6.452902369999999
_cell_length_c 8.58674106
_cell_angle_alpha 82.81201373999998
_cell_angle_beta 109.37247198
_cell_angle_gamma 114.16547318... |
MoveSelectedAtomsAction | d8848b0f-cc42-4190-a41a-e0cecb38ebc7 | mp-1229052 | Move atoms at indices [27, 40, 4, 41, 32, 9, 26, 33, 20, 7, 3, 31, 25, 14, 37, 21, 36, 23, 1, 12, 19, 15, 11, 6, 16, 24, 17, 10, 2, 0, 8, 28, 39, 30, 35, 44] by [ 2.24 -2.104 -0.095] angstrom in the cif file. | data_image0
_chemical_formula_structural Al41V4
_chemical_formula_sum "Al41 V4"
_cell_length_a 10.13341311
_cell_length_b 10.133404340000002
_cell_length_c 10.13343431
_cell_angle_alpha 60.00027868000001
_cell_angle_beta 60.00000942
_cell_angle_gamma 60.00008363
_space_gr... | data_image0
_chemical_formula_structural Al41V4
_chemical_formula_sum "Al41 V4"
_cell_length_a 10.13341311
_cell_length_b 10.133404340000002
_cell_length_c 10.13343431
_cell_angle_alpha 60.00027868000001
_cell_angle_beta 60.00000942
_cell_angle_gamma 60.00008363
_space_gr... |
MoveSelectedAtomsAction | 40049736-7c03-42e9-b09e-589bff244151 | mp-1174080 | Move atoms at indices [2, 12, 0, 15] by [-0.579 -0.435 -2.223] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4MnCo3O8
_chemical_formula_sum "Li4 Mn1 Co3 O8"
_cell_length_a 9.86198462
_cell_length_b 9.86198462
_cell_length_c 5.10375864
_cell_angle_alpha 83.85536122000002
_cell_angle_beta 83.85536122000002
_cell_angle_gamma 16.960982359999... | data_image0
_chemical_formula_structural Li4MnCo3O8
_chemical_formula_sum "Li4 Mn1 Co3 O8"
_cell_length_a 9.86198462
_cell_length_b 9.86198462
_cell_length_c 5.10375864
_cell_angle_alpha 83.85536122000002
_cell_angle_beta 83.85536122000002
_cell_angle_gamma 16.960982359999... |
MoveSelectedAtomsAction | 6b0daea4-691d-4f76-96ad-38aca98f9abf | mp-1030101 | Move atoms at indices [6, 4, 8, 2, 3, 7, 0] by [ 2.194 -1.77 0.269] angstrom in the cif file. | data_image0
_chemical_formula_structural Te4MoW3Se4
_chemical_formula_sum "Te4 Mo1 W3 Se4"
_cell_length_a 3.43778909
_cell_length_b 3.43778909
_cell_length_c 39.166563
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00002099000001
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Te4MoW3Se4
_chemical_formula_sum "Te4 Mo1 W3 Se4"
_cell_length_a 3.43778909
_cell_length_b 3.43778909
_cell_length_c 39.166563
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00002099000001
_space_group_name_H-M_... |
MoveSelectedAtomsAction | 660da396-d7ee-4401-b22f-f2bb2406c863 | mp-1194859 | Move atoms at indices [21, 23, 5, 46, 31] by [-0.612 -0.972 -0.936] angstrom in the cif file. | data_image0
_chemical_formula_structural Al4V4Te8O32
_chemical_formula_sum "Al4 V4 Te8 O32"
_cell_length_a 8.104843
_cell_length_b 4.919119
_cell_length_c 17.93012588
_cell_angle_alpha 90.0
_cell_angle_beta 112.6719878
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Al4V4Te8O32
_chemical_formula_sum "Al4 V4 Te8 O32"
_cell_length_a 8.104843
_cell_length_b 4.919119
_cell_length_c 17.93012588
_cell_angle_alpha 90.0
_cell_angle_beta 112.6719878
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | 9d33f251-f254-47d4-b047-cfaf029a3c26 | mp-18561 | Move atoms at indices [5, 6, 4, 8, 15, 2, 3, 12, 7, 1, 14, 11, 10, 13, 0] by [ 0.365 -0.562 -2.352] angstrom in the cif file. | data_image0
_chemical_formula_structural Ga4As2Rh10
_chemical_formula_sum "Ga4 As2 Rh10"
_cell_length_a 4.01954392
_cell_length_b 5.46160756
_cell_length_c 10.19616715
_cell_angle_alpha 89.98949256000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Ga4As2Rh10
_chemical_formula_sum "Ga4 As2 Rh10"
_cell_length_a 4.01954392
_cell_length_b 5.46160756
_cell_length_c 10.19616715
_cell_angle_alpha 89.98949256000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
MoveSelectedAtomsAction | 8c546244-3080-482d-92eb-9106ec8f2803 | mp-1208667 | Move atoms at indices [14] by [ 0.919 0.679 -1.741] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2C4O10
_chemical_formula_sum "Sr2 C4 O10"
_cell_length_a 6.4825783
_cell_length_b 6.482578300000001
_cell_length_c 6.55297993
_cell_angle_alpha 75.39235516
_cell_angle_beta 75.39235516
_cell_angle_gamma 72.68142132
_space_group_n... | data_image0
_chemical_formula_structural Sr2C4O10
_chemical_formula_sum "Sr2 C4 O10"
_cell_length_a 6.4825783
_cell_length_b 6.482578300000001
_cell_length_c 6.55297993
_cell_angle_alpha 75.39235516
_cell_angle_beta 75.39235516
_cell_angle_gamma 72.68142132
_space_group_n... |
MoveSelectedAtomsAction | 115a8260-2cc3-4217-bd72-e6804ea52970 | mp-774827 | Move atoms at indices [6, 16, 12, 18, 17, 19, 7, 5, 0, 4] by [ 0.752 0.97 -0.298] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V2CrTeO12
_chemical_formula_sum "Li4 V2 Cr1 Te1 O12"
_cell_length_a 5.06248
_cell_length_b 5.32188995
_cell_length_c 7.32971655
_cell_angle_alpha 86.10822233999998
_cell_angle_beta 89.72000477
_cell_angle_gamma 89.92189222000002
... | data_image0
_chemical_formula_structural Li4V2CrTeO12
_chemical_formula_sum "Li4 V2 Cr1 Te1 O12"
_cell_length_a 5.06248
_cell_length_b 5.32188995
_cell_length_c 7.32971655
_cell_angle_alpha 86.10822233999998
_cell_angle_beta 89.72000477
_cell_angle_gamma 89.92189222000002
... |
MoveSelectedAtomsAction | a22fac48-41ed-4663-aaf7-50e8c390e7a2 | mp-757418 | Move atoms at indices [23, 31, 18, 13, 15, 12, 42, 40, 8, 19, 39, 48, 29, 5, 22, 17, 27, 36] by [-0.538 0.552 -2.4 ] angstrom in the cif file. | data_image0
_chemical_formula_structural KTi16O32
_chemical_formula_sum "K1 Ti16 O32"
_cell_length_a 8.536617
_cell_length_b 8.53623361
_cell_length_c 10.41363399
_cell_angle_alpha 102.64098898
_cell_angle_beta 112.04457826
_cell_angle_gamma 105.95426343999999
_space_grou... | data_image0
_chemical_formula_structural KTi16O32
_chemical_formula_sum "K1 Ti16 O32"
_cell_length_a 8.536617
_cell_length_b 8.53623361
_cell_length_c 10.41363399
_cell_angle_alpha 102.64098898
_cell_angle_beta 112.04457826
_cell_angle_gamma 105.95426343999999
_space_grou... |
MoveSelectedAtomsAction | 45b046cd-1d9b-462e-8b34-781f63ea6cd1 | mp-1213886 | Move atoms at indices [31, 36, 9, 4, 45, 15, 34, 43, 0, 55, 44, 8, 27, 14, 19, 10, 47, 42, 33, 5, 6, 2, 12, 41, 53, 50, 39, 13, 29, 32, 1, 24] by [ 1.003 2.817 -1.276] angstrom in the cif file. | data_image0
_chemical_formula_structural Ce8Tl8F40
_chemical_formula_sum "Ce8 Tl8 F40"
_cell_length_a 8.27363409
_cell_length_b 8.15768151
_cell_length_c 13.54061819
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 102.96680331999998
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ce8Tl8F40
_chemical_formula_sum "Ce8 Tl8 F40"
_cell_length_a 8.27363409
_cell_length_b 8.15768151
_cell_length_c 13.54061819
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 102.96680331999998
_space_group_name_H-M_al... |
MoveSelectedAtomsAction | 3f232b61-9918-45da-ba0b-a9346d5738f9 | mp-1027998 | Move atoms at indices [6, 10, 9, 11, 4, 14, 8, 1, 12, 2, 3, 0, 5, 15, 7, 13] by [-0.334 -2.673 1.952] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14ZnCu
_chemical_formula_sum "Mg14 Zn1 Cu1"
_cell_length_a 6.24905681
_cell_length_b 6.24905632
_cell_length_c 9.97630643
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000255999998
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mg14ZnCu
_chemical_formula_sum "Mg14 Zn1 Cu1"
_cell_length_a 6.24905681
_cell_length_b 6.24905632
_cell_length_c 9.97630643
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000255999998
_space_group_name_H-M_alt... |
MoveSelectedAtomsAction | 9a5f9cf4-b3a3-4038-bffd-399f335814f3 | mp-1209256 | Move atoms at indices [7, 2, 0] by [-1.174 -1.124 0.62 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2GdTaCu2O8
_chemical_formula_sum "Sr2 Gd1 Ta1 Cu2 O8"
_cell_length_a 3.935051
_cell_length_b 3.935051
_cell_length_c 11.73933
_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 Sr2GdTaCu2O8
_chemical_formula_sum "Sr2 Gd1 Ta1 Cu2 O8"
_cell_length_a 3.935051
_cell_length_b 3.935051
_cell_length_c 11.73933
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveSelectedAtomsAction | 2bdb20d3-5913-4930-988d-e310f077a2d0 | mp-1023289 | Move atoms at indices [15, 11, 12, 7, 13, 1, 4, 14, 6] by [ 0.931 -0.847 -2.514] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg12Al2W2
_chemical_formula_sum "Mg12 Al2 W2"
_cell_length_a 4.961791
_cell_length_b 5.848886
_cell_length_c 10.827339
_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 Mg12Al2W2
_chemical_formula_sum "Mg12 Al2 W2"
_cell_length_a 4.961791
_cell_length_b 5.848886
_cell_length_c 10.827339
_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 | 073f47cd-8a9f-4659-aabf-da6074028fa7 | mp-1029743 | Move atoms at indices [46, 60, 20, 50, 40, 7, 23, 48, 58, 18, 2, 63, 26, 49, 32, 61, 6, 38, 22, 39, 53, 59, 54, 42, 8, 47, 16, 51, 55, 10, 1, 4, 15, 9, 12, 19] by [-1.422 0.847 1.168] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba16Ge16N32
_chemical_formula_sum "Ba16 Ge16 N32"
_cell_length_a 5.593084
_cell_length_b 11.223424
_cell_length_c 16.662798
_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 Ba16Ge16N32
_chemical_formula_sum "Ba16 Ge16 N32"
_cell_length_a 5.593084
_cell_length_b 11.223424
_cell_length_c 16.662798
_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 | a9d1a7e7-87b5-4419-959b-eeb6cf2cda08 | mp-796259 | Move atoms at indices [5, 10, 2, 1, 7, 3, 6, 11, 4, 9] by [-0.708 1.235 -4.239] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe4O8
_chemical_formula_sum "Fe4 O8"
_cell_length_a 3.036458
_cell_length_b 4.652907
_cell_length_c 9.475864
_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_num... | data_image0
_chemical_formula_structural Fe4O8
_chemical_formula_sum "Fe4 O8"
_cell_length_a 3.036458
_cell_length_b 4.652907
_cell_length_c 9.475864
_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_num... |
MoveSelectedAtomsAction | ad5e5657-de44-49a1-8a7a-084f0983388c | mp-2747986 | Move atoms at indices [8, 13] by [-3.472 0.745 -2.684] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2U4O12
_chemical_formula_sum "Cs2 U4 O12"
_cell_length_a 7.91228418
_cell_length_b 7.91201927
_cell_length_c 7.86210432
_cell_angle_alpha 60.17598872
_cell_angle_beta 60.17802232
_cell_angle_gamma 60.41923994999999
_space_group_n... | data_image0
_chemical_formula_structural Cs2U4O12
_chemical_formula_sum "Cs2 U4 O12"
_cell_length_a 7.91228418
_cell_length_b 7.91201927
_cell_length_c 7.86210432
_cell_angle_alpha 60.17598872
_cell_angle_beta 60.17802232
_cell_angle_gamma 60.41923994999999
_space_group_n... |
MoveSelectedAtomsAction | 1cf5bee0-f1ef-478a-829b-c3703f2ef423 | mp-779526 | Move atoms at indices [16, 18, 6, 20, 9, 25, 4, 0, 1, 26] by [ 0.082 -0.611 -0.455] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe10O14F6
_chemical_formula_sum "Fe10 O14 F6"
_cell_length_a 4.66250841
_cell_length_b 4.662508409999999
_cell_length_c 15.263086439999999
_cell_angle_alpha 89.97313512
_cell_angle_beta 89.97313512
_cell_angle_gamma 91.42331972
_sp... | data_image0
_chemical_formula_structural Fe10O14F6
_chemical_formula_sum "Fe10 O14 F6"
_cell_length_a 4.66250841
_cell_length_b 4.662508409999999
_cell_length_c 15.263086439999999
_cell_angle_alpha 89.97313512
_cell_angle_beta 89.97313512
_cell_angle_gamma 91.42331972
_sp... |
MoveSelectedAtomsAction | 13fd8565-1d43-4632-841a-956ca4bd8f05 | mp-35143 | Move atoms at indices [8, 4, 9, 1, 0] by [ 2.47 -0.615 3.055] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Nb2S6
_chemical_formula_sum "Ba2 Nb2 S6"
_cell_length_a 6.95265609
_cell_length_b 6.95265518
_cell_length_c 5.73582701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998911000002
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba2Nb2S6
_chemical_formula_sum "Ba2 Nb2 S6"
_cell_length_a 6.95265609
_cell_length_b 6.95265518
_cell_length_c 5.73582701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998911000002
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 2a04c551-2ab5-4557-b8a4-667a6c74e886 | mp-758815 | Move atoms at indices [15, 24, 28, 19, 45, 60, 38, 73, 22, 35, 62, 57, 17, 54, 26, 55, 21, 13, 65, 18, 0, 61, 59, 30, 66, 47, 5, 48, 12, 46, 16, 42, 72, 37, 53, 1, 44, 10, 50, 69, 41, 40, 36, 25, 14, 4, 68, 56, 34, 6, 64, 39, 2, 7, 23, 27, 8, 29, 67, 33, 70, 9, 20, 31] by [-0.555 1.653 0.071] angstrom in the cif file... | data_image0
_chemical_formula_structural Li8Mn4P16O48
_chemical_formula_sum "Li8 Mn4 P16 O48"
_cell_length_a 11.142329
_cell_length_b 7.490572
_cell_length_c 13.21386225
_cell_angle_alpha 74.52130082
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li8Mn4P16O48
_chemical_formula_sum "Li8 Mn4 P16 O48"
_cell_length_a 11.142329
_cell_length_b 7.490572
_cell_length_c 13.21386225
_cell_angle_alpha 74.52130082
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 2f106806-624f-49ad-8707-c80530dcb7d7 | mp-1178619 | Move atoms at indices [39, 4, 27, 21, 35, 41, 7, 13, 26, 17, 23, 37, 6, 15, 34, 28, 30, 0, 8, 31, 24, 18, 40, 10, 9, 2, 29, 1, 32, 25, 5, 19, 36] by [-0.812 0.437 2.083] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr2Cl8O32
_chemical_formula_sum "Zr2 Cl8 O32"
_cell_length_a 8.27100313
_cell_length_b 8.27100313
_cell_length_c 13.87605052
_cell_angle_alpha 75.16549651
_cell_angle_beta 75.16549651
_cell_angle_gamma 63.03230164000001
_space_grou... | data_image0
_chemical_formula_structural Zr2Cl8O32
_chemical_formula_sum "Zr2 Cl8 O32"
_cell_length_a 8.27100313
_cell_length_b 8.27100313
_cell_length_c 13.87605052
_cell_angle_alpha 75.16549651
_cell_angle_beta 75.16549651
_cell_angle_gamma 63.03230164000001
_space_grou... |
MoveSelectedAtomsAction | e03ef323-6746-4faa-b991-b5ce63ae0b75 | mp-780315 | Move atoms at indices [1, 15] by [ 0.199 -1.673 -0.332] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Cr2Fe3O10
_chemical_formula_sum "Li4 Cr2 Fe3 O10"
_cell_length_a 5.114969
_cell_length_b 5.13503036
_cell_length_c 7.829969649999999
_cell_angle_alpha 72.33638857
_cell_angle_beta 72.04430987
_cell_angle_gamma 80.09595811
_space... | data_image0
_chemical_formula_structural Li4Cr2Fe3O10
_chemical_formula_sum "Li4 Cr2 Fe3 O10"
_cell_length_a 5.114969
_cell_length_b 5.13503036
_cell_length_c 7.829969649999999
_cell_angle_alpha 72.33638857
_cell_angle_beta 72.04430987
_cell_angle_gamma 80.09595811
_space... |
MoveSelectedAtomsAction | 23ad54a8-b0b5-452b-a40d-f1f3a2ca1930 | mp-780431 | Move atoms at indices [67, 60, 4, 34, 13, 32, 41, 20, 8, 42, 1, 47, 2, 18, 14, 0, 23, 38, 50, 57, 74, 31, 51, 24, 76, 33] by [-3.556 0.288 -2.431] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Fe8P8H16O40
_chemical_formula_sum "Li8 Fe8 P8 H16 O40"
_cell_length_a 5.156879
_cell_length_b 10.022673
_cell_length_c 16.99323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li8Fe8P8H16O40
_chemical_formula_sum "Li8 Fe8 P8 H16 O40"
_cell_length_a 5.156879
_cell_length_b 10.022673
_cell_length_c 16.99323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveSelectedAtomsAction | bf326d24-5c9b-47d4-b419-7647574157cc | mp-850188 | Move atoms at indices [9, 1, 13, 3] by [0.188 4.314 3.029] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2V2O2F8
_chemical_formula_sum "Li2 V2 O2 F8"
_cell_length_a 5.41882944
_cell_length_b 5.41882944
_cell_length_c 10.245645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.95590219
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li2V2O2F8
_chemical_formula_sum "Li2 V2 O2 F8"
_cell_length_a 5.41882944
_cell_length_b 5.41882944
_cell_length_c 10.245645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.95590219
_space_group_name_H-M_alt "P... |
MoveSelectedAtomsAction | 0d12e697-31ad-4f31-a99c-4438702157f4 | mp-699403 | Move atoms at indices [36, 13, 8, 4, 17, 22, 39, 33, 28, 26, 14, 5, 12, 38, 11, 29, 15, 23, 9, 10, 35, 1, 7, 6, 25] by [ 1.466 0.46 -3.528] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2La6Ti2Cr6O24
_chemical_formula_sum "Ba2 La6 Ti2 Cr6 O24"
_cell_length_a 11.177216
_cell_length_b 5.600776
_cell_length_c 7.92704114
_cell_angle_alpha 89.40242338000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural Ba2La6Ti2Cr6O24
_chemical_formula_sum "Ba2 La6 Ti2 Cr6 O24"
_cell_length_a 11.177216
_cell_length_b 5.600776
_cell_length_c 7.92704114
_cell_angle_alpha 89.40242338000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
MoveSelectedAtomsAction | dd17e7f6-546e-474c-905e-f3d540482c16 | mp-559738 | Move atoms at indices [19, 12, 15, 59, 25, 58, 2, 53, 49, 11, 60, 61, 42, 7, 13, 21, 3, 63, 39, 8, 23, 38, 14, 40, 10, 26, 31, 17, 4, 62, 43, 32, 33, 41, 36, 34, 45, 1, 29, 46, 30, 44, 6, 57, 18, 56, 24, 52, 5, 28, 20, 48, 54, 50, 35, 9, 27, 22] by [ 1.013 -0.694 -1.587] angstrom in the cif file. | data_image0
_chemical_formula_structural Sb8S8N8Cl40
_chemical_formula_sum "Sb8 S8 N8 Cl40"
_cell_length_a 13.73769578
_cell_length_b 13.73769578
_cell_length_c 13.73769578
_cell_angle_alpha 111.41202979
_cell_angle_beta 111.41202979
_cell_angle_gamma 105.65566722000001
_... | data_image0
_chemical_formula_structural Sb8S8N8Cl40
_chemical_formula_sum "Sb8 S8 N8 Cl40"
_cell_length_a 13.73769578
_cell_length_b 13.73769578
_cell_length_c 13.73769578
_cell_angle_alpha 111.41202979
_cell_angle_beta 111.41202979
_cell_angle_gamma 105.65566722000001
_... |
MoveSelectedAtomsAction | 486c2506-a53a-49bf-b45a-b66e49e27cb0 | mp-1198626 | Move atoms at indices [51, 52, 23, 62, 59, 53, 34, 80, 61, 69, 64, 95, 25, 84, 54, 6, 21, 55, 48, 85, 86, 88, 70, 40, 36, 44, 13, 82, 28, 2, 26] by [-4.878 1.681 4.944] angstrom in the cif file. | data_image0
_chemical_formula_structural K12Co4C24O56
_chemical_formula_sum "K12 Co4 C24 O56"
_cell_length_a 13.20634269
_cell_length_b 13.20634269
_cell_length_c 12.71587269
_cell_angle_alpha 65.56575789
_cell_angle_beta 65.56575789
_cell_angle_gamma 51.40480058000001
_s... | data_image0
_chemical_formula_structural K12Co4C24O56
_chemical_formula_sum "K12 Co4 C24 O56"
_cell_length_a 13.20634269
_cell_length_b 13.20634269
_cell_length_c 12.71587269
_cell_angle_alpha 65.56575789
_cell_angle_beta 65.56575789
_cell_angle_gamma 51.40480058000001
_s... |
MoveSelectedAtomsAction | fbdecd68-57ac-477f-9628-ac1f6b53d0a5 | mp-1235973 | Move atoms at indices [16, 2, 15, 1, 20, 11] by [2.048 2.453 1.436] angstrom in the cif file. | data_image0
_chemical_formula_structural LiY4Ag4O12
_chemical_formula_sum "Li1 Y4 Ag4 O12"
_cell_length_a 6.17700983
_cell_length_b 7.209114630000001
_cell_length_c 6.964862
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 72.68391668
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural LiY4Ag4O12
_chemical_formula_sum "Li1 Y4 Ag4 O12"
_cell_length_a 6.17700983
_cell_length_b 7.209114630000001
_cell_length_c 6.964862
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 72.68391668
_space_group_name_H-M_a... |
MoveSelectedAtomsAction | d665ef48-3074-490f-8f5d-103959d86b37 | mp-765943 | Move atoms at indices [30, 11, 4, 33, 35, 8, 32, 39, 31, 1, 14, 0, 5, 17, 13, 40, 29, 27, 36] by [ 0.896 -1.133 1.579] angstrom in the cif file. | data_image0
_chemical_formula_structural Li12V8O16F8
_chemical_formula_sum "Li12 V8 O16 F8"
_cell_length_a 5.28340534
_cell_length_b 14.97931066
_cell_length_c 5.89211982
_cell_angle_alpha 100.62400067999998
_cell_angle_beta 91.38468044
_cell_angle_gamma 87.02975482
_spac... | data_image0
_chemical_formula_structural Li12V8O16F8
_chemical_formula_sum "Li12 V8 O16 F8"
_cell_length_a 5.28340534
_cell_length_b 14.97931066
_cell_length_c 5.89211982
_cell_angle_alpha 100.62400067999998
_cell_angle_beta 91.38468044
_cell_angle_gamma 87.02975482
_spac... |
MoveSelectedAtomsAction | 0ce90520-d213-41ec-ac44-d73c584b280e | mp-25954 | Move atoms at indices [4, 9, 24, 27, 18, 6, 12, 2, 35, 23, 22, 16, 10, 33, 3, 0, 8, 26, 14, 1, 11, 5, 31, 19, 13, 7, 34, 17] by [1.788 0.74 0.277] angstrom in the cif file. | data_image0
_chemical_formula_structural Co6P6O24
_chemical_formula_sum "Co6 P6 O24"
_cell_length_a 7.44144799
_cell_length_b 7.441447990000001
_cell_length_c 9.372664
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999993
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Co6P6O24
_chemical_formula_sum "Co6 P6 O24"
_cell_length_a 7.44144799
_cell_length_b 7.441447990000001
_cell_length_c 9.372664
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999993
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | a42920e6-b4ac-4078-908f-1e66e62e221c | mp-16136 | Move atoms at indices [18, 22, 13, 1, 3, 19, 5, 16, 12] by [2.923 0.418 0.081] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr3TaGa3Si2O14
_chemical_formula_sum "Sr3 Ta1 Ga3 Si2 O14"
_cell_length_a 8.41219425
_cell_length_b 8.41219425
_cell_length_c 5.129503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000200999999
_space_group_n... | data_image0
_chemical_formula_structural Sr3TaGa3Si2O14
_chemical_formula_sum "Sr3 Ta1 Ga3 Si2 O14"
_cell_length_a 8.41219425
_cell_length_b 8.41219425
_cell_length_c 5.129503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000200999999
_space_group_n... |
MoveSelectedAtomsAction | 18799199-7041-436e-b19c-e99cafbdac94 | mp-755023 | Move atoms at indices [5, 0, 3, 10, 12, 4] by [-4.371 1.15 -1.673] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg2Mn3O8
_chemical_formula_sum "Mg2 Mn3 O8"
_cell_length_a 5.82429502
_cell_length_b 5.82429502
_cell_length_c 4.80445645
_cell_angle_alpha 72.93029128
_cell_angle_beta 107.06970872
_cell_angle_gamma 121.61605819
_space_group_name_... | data_image0
_chemical_formula_structural Mg2Mn3O8
_chemical_formula_sum "Mg2 Mn3 O8"
_cell_length_a 5.82429502
_cell_length_b 5.82429502
_cell_length_c 4.80445645
_cell_angle_alpha 72.93029128
_cell_angle_beta 107.06970872
_cell_angle_gamma 121.61605819
_space_group_name_... |
MoveSelectedAtomsAction | 01c9b21c-e3d0-4f6b-bebb-93e7bf3774e3 | mp-1217240 | Move atoms at indices [12, 18, 20, 30, 41, 26, 3, 34, 8] by [-3.095 -1.521 0.151] angstrom in the cif file. | data_image0
_chemical_formula_structural U6P8S32
_chemical_formula_sum "U6 P8 S32"
_cell_length_a 12.18009283
_cell_length_b 12.18009283
_cell_length_c 12.18009283
_cell_angle_alpha 126.52364913
_cell_angle_beta 126.52364913
_cell_angle_gamma 79.02917861
_space_group_name... | data_image0
_chemical_formula_structural U6P8S32
_chemical_formula_sum "U6 P8 S32"
_cell_length_a 12.18009283
_cell_length_b 12.18009283
_cell_length_c 12.18009283
_cell_angle_alpha 126.52364913
_cell_angle_beta 126.52364913
_cell_angle_gamma 79.02917861
_space_group_name... |
MoveSelectedAtomsAction | 6240044c-cecc-4360-bc7d-97db22074270 | mp-867658 | Move atoms at indices [30, 4, 49, 47, 10, 59, 48, 34] by [ 0.37 -1.229 0.676] angstrom in the cif file. | data_image0
_chemical_formula_structural La14Mn13O42
_chemical_formula_sum "La14 Mn13 O42"
_cell_length_a 9.68085979
_cell_length_b 9.680859790000001
_cell_length_c 9.680859540000002
_cell_angle_alpha 100.23966913
_cell_angle_beta 100.23966913
_cell_angle_gamma 100.2396779... | data_image0
_chemical_formula_structural La14Mn13O42
_chemical_formula_sum "La14 Mn13 O42"
_cell_length_a 9.68085979
_cell_length_b 9.680859790000001
_cell_length_c 9.680859540000002
_cell_angle_alpha 100.23966913
_cell_angle_beta 100.23966913
_cell_angle_gamma 100.2396779... |
MoveSelectedAtomsAction | 82e27f0b-7fc6-4d6a-b4e1-527f49412070 | mp-1076079 | Move atoms at indices [39, 23, 33, 1, 17, 21, 36, 7, 3, 15, 31, 19, 30, 14, 26, 0, 38, 18, 34, 2, 29, 35, 27, 13, 4, 28, 6, 9, 25, 20, 24, 11, 37, 32] by [ 0.341 1.355 -0.304] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr5Ca3MnFe7O24
_chemical_formula_sum "Sr5 Ca3 Mn1 Fe7 O24"
_cell_length_a 7.7761693
_cell_length_b 7.776169299999999
_cell_length_c 7.77140523
_cell_angle_alpha 89.99016139999999
_cell_angle_beta 89.99016139999999
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Sr5Ca3MnFe7O24
_chemical_formula_sum "Sr5 Ca3 Mn1 Fe7 O24"
_cell_length_a 7.7761693
_cell_length_b 7.776169299999999
_cell_length_c 7.77140523
_cell_angle_alpha 89.99016139999999
_cell_angle_beta 89.99016139999999
_cell_angle_gamma ... |
MoveSelectedAtomsAction | 56c2d334-cbcc-4eaa-9644-deb740cd6706 | mp-1176457 | Move atoms at indices [11, 10, 17, 7, 6, 14, 1, 9, 16, 4, 5, 13, 3] by [-2.231 1.718 2.82 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn6O2F10
_chemical_formula_sum "Mn6 O2 F10"
_cell_length_a 5.858324
_cell_length_b 5.89193293
_cell_length_c 7.57491206
_cell_angle_alpha 73.75590791
_cell_angle_beta 73.47966378
_cell_angle_gamma 71.89549521
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Mn6O2F10
_chemical_formula_sum "Mn6 O2 F10"
_cell_length_a 5.858324
_cell_length_b 5.89193293
_cell_length_c 7.57491206
_cell_angle_alpha 73.75590791
_cell_angle_beta 73.47966378
_cell_angle_gamma 71.89549521
_space_group_name_H-M_... |
MoveSelectedAtomsAction | 6175e2ce-8d5b-44e5-900f-ba5b4f356038 | mp-733581 | Move atoms at indices [12, 53, 58, 68, 28, 33, 7, 39, 77, 13, 16, 56, 20, 64, 43, 76, 1, 67, 32, 65, 49, 45, 54, 36, 38, 74, 71, 75, 0, 51, 24, 6, 30, 47, 8, 79, 4, 48, 14, 31, 62, 22] by [-0.488 0.273 -2.33 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Pr8H8Se16O48
_chemical_formula_sum "Pr8 H8 Se16 O48"
_cell_length_a 7.08154831
_cell_length_b 8.41853341
_cell_length_c 18.8842553
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Pr8H8Se16O48
_chemical_formula_sum "Pr8 H8 Se16 O48"
_cell_length_a 7.08154831
_cell_length_b 8.41853341
_cell_length_c 18.8842553
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveSelectedAtomsAction | b8bc5eed-b2f3-48aa-adb9-cc5a50878b5a | mp-1219022 | Move atoms at indices [7, 8, 11, 3, 5, 4, 2, 10, 1, 0, 6, 9] by [-0.683 2.273 -2.251] angstrom in the cif file. | data_image0
_chemical_formula_structural SmTiFe11
_chemical_formula_sum "Sm1 Ti1 Fe11"
_cell_length_a 4.711788
_cell_length_b 6.48591216
_cell_length_c 6.48591216
_cell_angle_alpha 97.20522104999999
_cell_angle_beta 111.29884729000001
_cell_angle_gamma 68.70115270999999
_... | data_image0
_chemical_formula_structural SmTiFe11
_chemical_formula_sum "Sm1 Ti1 Fe11"
_cell_length_a 4.711788
_cell_length_b 6.48591216
_cell_length_c 6.48591216
_cell_angle_alpha 97.20522104999999
_cell_angle_beta 111.29884729000001
_cell_angle_gamma 68.70115270999999
_... |
MoveSelectedAtomsAction | 621a5162-578a-4fb2-929b-b9bf5bd6d480 | mp-1224278 | Move atoms at indices [15, 19, 20, 22, 7, 13, 2, 12, 18, 10, 17, 14, 3, 21] by [-3.182 -0.411 -1.312] angstrom in the cif file. | data_image0
_chemical_formula_structural K4PSe3O16
_chemical_formula_sum "K4 P1 Se3 O16"
_cell_length_a 7.629799
_cell_length_b 7.85621056
_cell_length_c 7.88514763
_cell_angle_alpha 72.25737369
_cell_angle_beta 85.68888994999999
_cell_angle_gamma 87.02703044
_space_group... | data_image0
_chemical_formula_structural K4PSe3O16
_chemical_formula_sum "K4 P1 Se3 O16"
_cell_length_a 7.629799
_cell_length_b 7.85621056
_cell_length_c 7.88514763
_cell_angle_alpha 72.25737369
_cell_angle_beta 85.68888994999999
_cell_angle_gamma 87.02703044
_space_group... |
MoveSelectedAtomsAction | 5ce83087-35e9-438d-a574-91ec5e200fae | mp-559350 | Move atoms at indices [14] by [-1.131 -1.429 -3.872] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr4S16N16Cl24
_chemical_formula_sum "Zr4 S16 N16 Cl24"
_cell_length_a 7.219363
_cell_length_b 11.67949774
_cell_length_c 18.902764979999997
_cell_angle_alpha 102.7843475
_cell_angle_beta 98.62278857
_cell_angle_gamma 92.16053803
_s... | data_image0
_chemical_formula_structural Zr4S16N16Cl24
_chemical_formula_sum "Zr4 S16 N16 Cl24"
_cell_length_a 7.219363
_cell_length_b 11.67949774
_cell_length_c 18.902764979999997
_cell_angle_alpha 102.7843475
_cell_angle_beta 98.62278857
_cell_angle_gamma 92.16053803
_s... |
MoveSelectedAtomsAction | e6894d13-786e-48c2-8fb5-8f1094666d4e | mp-1407867 | Move atoms at indices [10] by [-0.544 -4.841 -3.761] angstrom in the cif file. | data_image0
_chemical_formula_structural Y2Sn4O8
_chemical_formula_sum "Y2 Sn4 O8"
_cell_length_a 6.86205727
_cell_length_b 6.862057270000001
_cell_length_c 6.862057270000001
_cell_angle_alpha 126.91866520999997
_cell_angle_beta 126.91866521
_cell_angle_gamma 78.38341797
... | data_image0
_chemical_formula_structural Y2Sn4O8
_chemical_formula_sum "Y2 Sn4 O8"
_cell_length_a 6.86205727
_cell_length_b 6.862057270000001
_cell_length_c 6.862057270000001
_cell_angle_alpha 126.91866520999997
_cell_angle_beta 126.91866521
_cell_angle_gamma 78.38341797
... |
MoveSelectedAtomsAction | 30d77bf6-456d-41d8-a416-58d74359cf46 | mp-1246950 | Move atoms at indices [4, 10, 3, 12, 5, 0, 2, 8, 6, 14] by [ 0.193 -0.027 -1.038] angstrom in the cif file. | data_image0
_chemical_formula_structural MnC8N6
_chemical_formula_sum "Mn1 C8 N6"
_cell_length_a 5.6918229
_cell_length_b 7.22975951
_cell_length_c 7.2297591500000005
_cell_angle_alpha 59.95658291000002
_cell_angle_beta 90.16036235999998
_cell_angle_gamma 90.16036731
_spa... | data_image0
_chemical_formula_structural MnC8N6
_chemical_formula_sum "Mn1 C8 N6"
_cell_length_a 5.6918229
_cell_length_b 7.22975951
_cell_length_c 7.2297591500000005
_cell_angle_alpha 59.95658291000002
_cell_angle_beta 90.16036235999998
_cell_angle_gamma 90.16036731
_spa... |
MoveSelectedAtomsAction | cd4f8832-e46c-4a5c-8ae9-e51333466787 | mp-29756 | Move atoms at indices [24, 20, 1, 0, 12, 28, 23, 18, 4, 34, 25, 8, 16] by [ 1.123 -1.937 -1.575] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb4B12O20
_chemical_formula_sum "Rb4 B12 O20"
_cell_length_a 6.15505139
_cell_length_b 8.47198793
_cell_length_c 8.7437799
_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 Rb4B12O20
_chemical_formula_sum "Rb4 B12 O20"
_cell_length_a 6.15505139
_cell_length_b 8.47198793
_cell_length_c 8.7437799
_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 | 12d66138-cc29-4abd-984c-1c670973ad59 | mp-510460 | Move atoms at indices [4, 8, 2] by [ 4.134 -1.5 4.059] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2La2Zn2Te6
_chemical_formula_sum "Cs2 La2 Zn2 Te6"
_cell_length_a 8.88004605
_cell_length_b 8.88004605
_cell_length_c 12.265881
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 149.98271285000004
_space_group_name_H... | data_image0
_chemical_formula_structural Cs2La2Zn2Te6
_chemical_formula_sum "Cs2 La2 Zn2 Te6"
_cell_length_a 8.88004605
_cell_length_b 8.88004605
_cell_length_c 12.265881
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 149.98271285000004
_space_group_name_H... |
MoveSelectedAtomsAction | a8bca78f-cfc7-4f65-b2e9-06d5c498870c | mp-1030605 | Move atoms at indices [11, 6] by [ 1.816 -0.739 2.039] angstrom in the cif file. | data_image0
_chemical_formula_structural Te2Mo3WSe6
_chemical_formula_sum "Te2 Mo3 W1 Se6"
_cell_length_a 3.37968023
_cell_length_b 3.3796802299999995
_cell_length_c 38.507669
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000445999999
_space_group_n... | data_image0
_chemical_formula_structural Te2Mo3WSe6
_chemical_formula_sum "Te2 Mo3 W1 Se6"
_cell_length_a 3.37968023
_cell_length_b 3.3796802299999995
_cell_length_c 38.507669
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000445999999
_space_group_n... |
MoveSelectedAtomsAction | 64c2cec9-f071-448f-96dd-03db236d3ea3 | mp-1227612 | Move atoms at indices [66, 7, 54, 26, 15, 4, 47, 38, 44, 16, 61, 3, 29, 23, 39, 55, 2, 49, 13, 12, 14, 6, 58, 33, 1, 41, 28, 24, 48, 30, 36, 65, 34, 0, 60, 53, 25, 52, 57, 19, 35, 20, 43, 62, 37, 56, 51] by [ 0.542 -1.241 2.14 ] angstrom in the cif file. | data_image0
_chemical_formula_structural La18In10Se42
_chemical_formula_sum "La18 In10 Se42"
_cell_length_a 12.60651707
_cell_length_b 12.606517070000002
_cell_length_c 12.6065167
_cell_angle_alpha 96.01231212
_cell_angle_beta 96.01231212
_cell_angle_gamma 96.0123094
_spa... | data_image0
_chemical_formula_structural La18In10Se42
_chemical_formula_sum "La18 In10 Se42"
_cell_length_a 12.60651707
_cell_length_b 12.606517070000002
_cell_length_c 12.6065167
_cell_angle_alpha 96.01231212
_cell_angle_beta 96.01231212
_cell_angle_gamma 96.0123094
_spa... |
MoveSelectedAtomsAction | 584bfec3-baed-4e79-af9c-00c78199ae2b | mp-1027965 | Move atoms at indices [9] by [0.601 0.212 3.097] angstrom in the cif file. | data_image0
_chemical_formula_structural YMg14Ga
_chemical_formula_sum "Y1 Mg14 Ga1"
_cell_length_a 6.4783171
_cell_length_b 6.2636730499999995
_cell_length_c 10.37809344
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.90990617
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural YMg14Ga
_chemical_formula_sum "Y1 Mg14 Ga1"
_cell_length_a 6.4783171
_cell_length_b 6.2636730499999995
_cell_length_c 10.37809344
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.90990617
_space_group_name_H-M_alt... |
MoveSelectedAtomsAction | d59eed0c-f360-42b7-8cc6-d84cbef1470c | mp-698134 | Move atoms at indices [32, 42, 21, 14, 39, 20, 41, 47, 7, 15, 12] by [-0.593 1.628 -1.586] angstrom in the cif file. | data_image0
_chemical_formula_structural K4Na4Sb4H12O6F20
_chemical_formula_sum "K4 Na4 Sb4 H12 O6 F20"
_cell_length_a 17.902519
_cell_length_b 6.153828
_cell_length_c 6.1553536
_cell_angle_alpha 89.39108713999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... | data_image0
_chemical_formula_structural K4Na4Sb4H12O6F20
_chemical_formula_sum "K4 Na4 Sb4 H12 O6 F20"
_cell_length_a 17.902519
_cell_length_b 6.153828
_cell_length_c 6.1553536
_cell_angle_alpha 89.39108713999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
MoveSelectedAtomsAction | 402593f4-27fc-4de7-906a-6f61c2157b11 | mp-1195032 | Move atoms at indices [6, 27, 18, 19, 11] by [-1.556 -1.232 2.397] angstrom in the cif file. | data_image0
_chemical_formula_structural Bi4Te4N4O24
_chemical_formula_sum "Bi4 Te4 N4 O24"
_cell_length_a 9.04492363
_cell_length_b 7.39396633
_cell_length_c 8.19238192
_cell_angle_alpha 65.83183338
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Bi4Te4N4O24
_chemical_formula_sum "Bi4 Te4 N4 O24"
_cell_length_a 9.04492363
_cell_length_b 7.39396633
_cell_length_c 8.19238192
_cell_angle_alpha 65.83183338
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 6780fe93-c5df-47f3-bec7-35c1703b00a9 | mp-2196 | Move atoms at indices [2, 6, 0, 10, 17, 14, 12, 5, 16, 9] by [0.177 3.085 0.99 ] 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 ... |
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