LaH8Au3
Alexandria ALEXAlex-ID: agm006523937 · 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
AB3C8_3_spg164
H6Au LaH3 La14Au51
2025-04-28 18:29:32
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006523937).
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 agm006523937
data_agm006523937
_cell_length_a 4.75431
_cell_length_b 5.78342
_cell_length_c 6.39494
_cell_angle_alpha 96.17215
_cell_angle_beta 90.05331
_cell_angle_gamma 114.29235
_cell_volume 159.14029
_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
La1 La 0.00000 0.00000 0.50000 1.00000
H1 H 0.31332 0.13765 0.17139 1.00000
H2 H 0.81569 0.63030 0.20146 1.00000
H3 H 0.82233 0.13547 0.17088 1.00000
H4 H 0.68668 0.86235 0.82861 1.00000
H5 H 0.18431 0.36970 0.79854 1.00000
H6 H 0.17767 0.86453 0.82912 1.00000
H7 H 0.40663 0.81307 0.46374 1.00000
H8 H 0.59337 0.18693 0.53626 1.00000
Au1 Au 0.30054 0.60122 0.63972 1.00000
Au2 Au 0.69946 0.39878 0.36028 1.00000
Au3 Au 0.00000 0.00000 0.00000 1.00000
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