Pa4AsPtSe2
Alexandria ALEXAlex-ID: agm004854485 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_343_spg10
Pa3AsSe2 PaPt
2022-07-13 08:49:26.176741
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004854485).
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 agm004854485
data_agm004854485
_cell_length_a 3.94986
_cell_length_b 7.12584
_cell_length_c 7.26057
_cell_angle_alpha 71.57498
_cell_angle_beta 89.99972
_cell_angle_gamma 89.99969
_cell_volume 193.88062
_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
Pa1 Pa 0.00000 0.73824 0.76006 1.00000
Pa2 Pa 1.00000 0.26176 0.23994 1.00000
Pa3 Pa 0.50000 0.74805 0.25059 1.00000
Pa4 Pa 0.50000 0.25195 0.74941 1.00000
As1 As 0.00000 0.49999 0.50000 1.00000
Pt1 Pt 0.50000 0.50000 1.00000 1.00000
Se1 Se 0.00000 0.00000 1.00000 1.00000
Se2 Se 0.50000 0.00000 0.50000 1.00000
获取直接链接