Pt2Cl
Alexandria ALEXAlex-ID: agm005483793 · 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
AB2_2171_spg12
PtCl2 Pt
2023-03-20 14:05:44.800212
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005483793).
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 agm005483793
data_agm005483793
_cell_length_a 8.18070
_cell_length_b 8.18070
_cell_length_c 6.06744
_cell_angle_alpha 70.98328
_cell_angle_beta 70.98328
_cell_angle_gamma 24.44061
_cell_volume 158.39329
_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 0.68598 0.68598 0.08677 1.00000
Pt2 Pt 0.24411 0.24411 0.36097 1.00000
Pt3 Pt 0.75589 0.75589 0.63903 1.00000
Pt4 Pt 0.31402 0.31402 0.91323 1.00000
Cl1 Cl 0.07377 0.07377 0.18441 1.00000
Cl2 Cl 0.92623 0.92623 0.81559 1.00000
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