Ho3Si4Au7
Alexandria ALEXAlex-ID: agm005696544 · 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
A3B4C7_8_spg12
Ho3(SiAu)4 HoAu3 Si
2023-06-29 17:24:19.317404
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005696544).
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 agm005696544
data_agm005696544
_cell_length_a 4.29952
_cell_length_b 8.23994
_cell_length_c 8.36965
_cell_angle_alpha 69.86219
_cell_angle_beta 75.11667
_cell_angle_gamma 74.87683
_cell_volume 264.14631
_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 0.31394 0.18730 0.18482 1.00000
Ho2 Ho 0.68606 0.81270 0.81518 1.00000
Ho3 Ho 0.00000 0.50000 0.50000 1.00000
Si1 Si 0.66379 0.44953 0.22289 1.00000
Si2 Si 0.33621 0.55047 0.77711 1.00000
Si3 Si 0.88030 0.90142 0.33798 1.00000
Si4 Si 0.11970 0.09858 0.66202 1.00000
Au1 Au 0.31663 0.82891 0.53783 1.00000
Au2 Au 0.49412 0.22292 0.78884 1.00000
Au3 Au 0.84261 0.40163 0.91316 1.00000
Au4 Au 0.68337 0.17109 0.46217 1.00000
Au5 Au 0.15739 0.59837 0.08684 1.00000
Au6 Au 0.00000 0.00000 0.00000 1.00000
Au7 Au 0.50588 0.77708 0.21116 1.00000
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