Ho3Si8Rh3
Alexandria ALEXAlex-ID: agm005686376 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B3C8_19_spg12
Ho2Si3Rh Ho5(Si7Rh2)2 Ho2Si5Rh3
2023-06-29 11:13:36.873074
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005686376).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005686376
data_agm005686376
_cell_length_a 4.14137
_cell_length_b 7.69468
_cell_length_c 8.44572
_cell_angle_alpha 64.40448
_cell_angle_beta 75.80779
_cell_angle_gamma 74.38892
_cell_volume 231.18103
_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 0.29780 0.75528 0.64911 1.00000
Ho2 Ho 0.70220 0.24472 0.35089 1.00000
Ho3 Ho 0.00000 0.00000 0.00000 1.00000
Si1 Si 0.11289 0.14988 0.62434 1.00000
Si2 Si 0.88711 0.85012 0.37566 1.00000
Si3 Si 0.86409 0.43115 0.84067 1.00000
Si4 Si 0.13591 0.56885 0.15933 1.00000
Si5 Si 0.51709 0.67644 0.28937 1.00000
Si6 Si 0.48291 0.32356 0.71063 1.00000
Si7 Si 0.36317 0.02275 0.25090 1.00000
Si8 Si 0.63683 0.97725 0.74910 1.00000
Rh1 Rh 0.00000 0.50000 0.50000 1.00000
Rh2 Rh 0.67802 0.65786 0.98611 1.00000
Rh3 Rh 0.32198 0.34214 0.01389 1.00000
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