MgAs8
Alexandria ALEXAlex-ID: agm005504813 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB8_0_spg139
MgAs4 As
2023-03-19 13:40:38.932923
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005504813).
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 agm005504813
data_agm005504813
_cell_length_a 7.60618
_cell_length_b 7.60618
_cell_length_c 7.60618
_cell_angle_alpha 94.85502
_cell_angle_beta 94.85502
_cell_angle_gamma 146.17386
_cell_volume 234.36771
_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
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
As1 As 0.62196 0.37804 0.00000 1.00000
As2 As 0.37804 0.62196 0.00000 1.00000
As3 As 0.00000 0.61777 0.61777 1.00000
As4 As 0.37804 0.37804 0.75608 1.00000
As5 As 0.61777 0.00000 0.61777 1.00000
As6 As 0.62196 0.62196 0.24392 1.00000
As7 As 0.00000 0.38223 0.38223 1.00000
As8 As 0.38223 0.00000 0.38223 1.00000
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