Ho12ScC7
Alexandria ALEXAlex-ID: agm005807154 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB7C12_30_spg148
Ho4C5 Sc4C3 Ho2C
2023-07-15 14:23:24.437698
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005807154).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm005807154
data_agm005807154
_cell_length_a 8.01979
_cell_length_b 8.01979
_cell_length_c 8.01979
_cell_angle_alpha 107.70190
_cell_angle_beta 107.70190
_cell_angle_gamma 107.70190
_cell_volume 421.07447
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ho1 Ho 0.92944 0.30693 0.78625 1.00000
Ho2 Ho 0.69307 0.21375 0.07056 1.00000
Ho3 Ho 0.44047 0.15704 0.37151 1.00000
Ho4 Ho 0.84296 0.62849 0.55953 1.00000
Ho5 Ho 0.21375 0.07056 0.69307 1.00000
Ho6 Ho 0.62849 0.55953 0.84296 1.00000
Ho7 Ho 0.37151 0.44047 0.15704 1.00000
Ho8 Ho 0.78625 0.92944 0.30693 1.00000
Ho9 Ho 0.15704 0.37151 0.44047 1.00000
Ho10 Ho 0.55953 0.84296 0.62849 1.00000
Ho11 Ho 0.30693 0.78625 0.92944 1.00000
Ho12 Ho 0.07056 0.69307 0.21375 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
C1 C 0.96138 0.65199 0.88674 1.00000
C2 C 0.34801 0.11326 0.03862 1.00000
C3 C 0.11326 0.03862 0.34801 1.00000
C4 C 0.50000 0.50000 0.50000 1.00000
C5 C 0.88674 0.96138 0.65199 1.00000
C6 C 0.65199 0.88674 0.96138 1.00000
C7 C 0.03862 0.34801 0.11326 1.00000
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