Pt5Se
Alexandria ALEXAlex-ID: agm005463171 · 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
AB5_238_spg8
Pt5Se4 Pt
2023-03-21 22:03:53.122963
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005463171).
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 agm005463171
data_agm005463171
_cell_length_a 5.56892
_cell_length_b 5.56892
_cell_length_c 6.74118
_cell_angle_alpha 72.05461
_cell_angle_beta 72.05461
_cell_angle_gamma 29.32373
_cell_volume 97.05586
_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
Pt1 Pt 0.33833 0.33833 0.83556 1.00000
Pt2 Pt 0.00000 0.00000 0.50000 1.00000
Pt3 Pt 0.66167 0.66167 0.16444 1.00000
Pt4 Pt 0.66651 0.66651 0.67116 1.00000
Pt5 Pt 0.33349 0.33349 0.32884 1.00000
Se1 Se 0.00000 0.00000 0.00000 1.00000
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