Pu2HOsPt6
Alexandria ALEXAlex-ID: agm007642345 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_228_spg146
PuH6Pt PuPt3 Pu(H3Pt)4 Os
2024-07-02 11:38:59.097031
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007642345).
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 agm007642345
data_agm007642345
_cell_length_a 5.49675
_cell_length_b 5.49675
_cell_length_c 7.29728
_cell_angle_alpha 67.86339
_cell_angle_beta 67.86339
_cell_angle_gamma 60.00824
_cell_volume 171.93355
_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
Pu1 Pu 0.20220 0.20220 0.39361 1.00000
Pu2 Pu 0.79780 0.79780 0.60639 1.00000
H1 H 0.00000 0.00000 0.00000 1.00000
Os1 Os 0.50000 0.50000 0.50000 1.00000
Pt1 Pt 0.77141 0.77141 0.18341 1.00000
Pt2 Pt 0.22847 0.72546 0.81693 1.00000
Pt3 Pt 0.72546 0.22847 0.81693 1.00000
Pt4 Pt 0.27454 0.77153 0.18307 1.00000
Pt5 Pt 0.77153 0.27454 0.18307 1.00000
Pt6 Pt 0.22859 0.22859 0.81659 1.00000
获取直接链接