Cr(Pd3Pt)2
Alexandria ALEXAlex-ID: agm005650194 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_1169_spg2
Cr3PdPt4 Pd CrPt3
2023-07-06 22:18:22.667244
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005650194).
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 agm005650194
data_agm005650194
_cell_length_a 4.80322
_cell_length_b 6.19611
_cell_length_c 6.82183
_cell_angle_alpha 68.89767
_cell_angle_beta 62.25569
_cell_angle_gamma 49.82252
_cell_volume 136.75244
_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
Cr1 Cr 0.00000 0.50000 0.50000 1.00000
Pd1 Pd 0.89077 0.27766 0.94254 1.00000
Pd2 Pd 0.67360 0.82953 0.82792 1.00000
Pd3 Pd 0.32640 0.17047 0.17208 1.00000
Pd4 Pd 0.55274 0.61019 0.27991 1.00000
Pd5 Pd 0.44726 0.38981 0.72009 1.00000
Pd6 Pd 0.10923 0.72234 0.05746 1.00000
Pt1 Pt 0.77172 0.05439 0.39245 1.00000
Pt2 Pt 0.22828 0.94561 0.60755 1.00000
获取直接链接