Pm3PtSeCl
Alexandria ALEXAlex-ID: agm005032292 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD3_375_spg11
Pm3PtCl3 Pm6PtSe5 Pm5Pt3 Pm7Pt3
2022-07-05 15:15:15.363863
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005032292).
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 agm005032292
data_agm005032292
_cell_length_a 4.15812
_cell_length_b 8.38985
_cell_length_c 9.45105
_cell_angle_alpha 102.43025
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 321.98009
_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
Pm1 Pm 0.75000 0.89390 0.10941 1.00000
Pm2 Pm 0.25000 0.10610 0.89059 1.00000
Pm3 Pm 0.25000 0.72284 0.48660 1.00000
Pm4 Pm 0.75000 0.27716 0.51340 1.00000
Pm5 Pm 0.75000 0.43098 0.16422 1.00000
Pm6 Pm 0.25000 0.56902 0.83578 1.00000
Pt1 Pt 0.25000 0.66542 0.15236 1.00000
Pt2 Pt 0.75000 0.33458 0.84764 1.00000
Se1 Se 0.25000 0.18404 0.23788 1.00000
Se2 Se 0.75000 0.81596 0.76212 1.00000
Cl1 Cl 0.25000 0.09293 0.59959 1.00000
Cl2 Cl 0.75000 0.90707 0.40041 1.00000
获取直接链接