PtRh4W
Alexandria ALEXAlex-ID: agm005751302 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_1175_spg13
Pt2Rh6W Pt4Rh4W Rh3W
2023-08-05 03:41:14.171306
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005751302).
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 agm005751302
data_agm005751302
_cell_length_a 4.27231
_cell_length_b 5.42169
_cell_length_c 8.17035
_cell_angle_alpha 70.62252
_cell_angle_beta 90.00030
_cell_angle_gamma 90.00089
_cell_volume 178.53049
_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 0.75000 0.87776 0.24447 1.00000
Pt2 Pt 0.25000 0.12224 0.75553 1.00000
Rh1 Rh 0.25000 0.54641 0.41344 1.00000
Rh2 Rh 0.25000 0.71010 0.08562 1.00000
Rh3 Rh 0.75000 0.95985 0.58656 1.00000
Rh4 Rh 0.75000 0.79572 0.91438 1.00000
Rh5 Rh 0.75000 0.45359 0.58656 1.00000
Rh6 Rh 0.25000 0.04015 0.41344 1.00000
Rh7 Rh 0.75000 0.28990 0.91438 1.00000
Rh8 Rh 0.25000 0.20428 0.08562 1.00000
W1 W 0.75000 0.37169 0.25663 1.00000
W2 W 0.25000 0.62831 0.74337 1.00000
获取直接链接