HfRhAu4
Alexandria ALEXAlex-ID: agm005752965 · 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
ABC4_1911_spg12
Hf2RhAu6 Hf2(RhAu)3 Au
2023-08-05 03:29:37.156539
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005752965).
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 agm005752965
data_agm005752965
_cell_length_a 5.06652
_cell_length_b 5.06602
_cell_length_c 5.10466
_cell_angle_alpha 78.26002
_cell_angle_beta 78.27376
_cell_angle_gamma 118.98007
_cell_volume 105.02040
_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
Hf1 Hf 0.49815 0.00277 0.00127 1.00000
Rh1 Rh 0.99813 0.50265 0.50134 1.00000
Au1 Au 0.33328 0.16739 0.50134 1.00000
Au2 Au 0.66301 0.83798 0.50123 1.00000
Au3 Au 0.83348 0.66727 0.00139 1.00000
Au4 Au 0.16278 0.33822 0.00121 1.00000
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