Th2H5Au2
Alexandria ALEXAlex-ID: agm007287364 · 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
A2B2C5_527_spg12
ThAu3 Th4H15
2024-02-09 10:28:42
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007287364).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm007287364
data_agm007287364
_cell_length_a 6.47870
_cell_length_b 6.47870
_cell_length_c 5.03459
_cell_angle_alpha 87.27638
_cell_angle_beta 87.27638
_cell_angle_gamma 35.40318
_cell_volume 122.27063
_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
Th1 Th 0.85103 0.85103 0.76986 1.00000
Th2 Th 0.14897 0.14897 0.23014 1.00000
H1 H 0.74811 0.74811 0.15996 1.00000
H2 H 0.25189 0.25189 0.84004 1.00000
H3 H 0.56791 0.56791 0.14813 1.00000
H4 H 0.43209 0.43209 0.85187 1.00000
H5 H 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.59101 0.59101 0.69667 1.00000
Au2 Au 0.40899 0.40899 0.30333 1.00000
