Eu5As4
Alexandria ALEXAlex-ID: agm005284550 · 空间群: Cmce (#64)
基础信息
组成
能量与稳定性
电子结构
其他信息
A4B5_24_spg64
EuAs Eu4As3
2023-05-07 13:18:32.679544
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005284550).
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 agm005284550
data_agm005284550
_cell_length_a 8.67844
_cell_length_b 8.67844
_cell_length_c 8.02130
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 125.23732
_cell_volume 493.43262
_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
Eu1 Eu 0.47183 0.18793 0.16582 1.00000
Eu2 Eu 0.81207 0.52817 0.83418 1.00000
Eu3 Eu 0.31207 0.02817 0.66582 1.00000
Eu4 Eu 0.97183 0.68793 0.33418 1.00000
Eu5 Eu 0.52817 0.81207 0.83418 1.00000
Eu6 Eu 0.18793 0.47183 0.16582 1.00000
Eu7 Eu 0.68793 0.97183 0.33418 1.00000
Eu8 Eu 0.02817 0.31207 0.66582 1.00000
Eu9 Eu 0.50000 0.50000 0.50000 1.00000
Eu10 Eu 0.00000 0.00000 0.00000 1.00000
As1 As 0.70055 0.29945 0.50000 1.00000
As2 As 0.20055 0.79945 0.00000 1.00000
As3 As 0.29945 0.70055 0.50000 1.00000
As4 As 0.79945 0.20055 0.00000 1.00000
As5 As 0.62228 0.62228 0.12305 1.00000
As6 As 0.37772 0.37772 0.87695 1.00000
As7 As 0.87772 0.87772 0.62305 1.00000
As8 As 0.12228 0.12228 0.37695 1.00000
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