PuH4Os2Pt
Alexandria ALEXAlex-ID: agm007497596 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_339_spg23
PuH6Pt PuH5Os PuPt2 Os
2024-06-24 12:00:32.820911
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007497596).
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 agm007497596
data_agm007497596
_cell_length_a 4.31240
_cell_length_b 4.70955
_cell_length_c 4.70661
_cell_angle_alpha 106.91418
_cell_angle_beta 105.05086
_cell_angle_gamma 98.75182
_cell_volume 85.59224
_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 0.47069 0.94261 0.05208 1.00000
H1 H 0.41610 0.67866 0.50679 1.00000
H2 H 0.98720 0.72688 0.16451 1.00000
H3 H 0.03289 0.17340 0.13697 1.00000
H4 H 0.48779 0.40747 0.95671 1.00000
Os1 Os 0.87709 0.37112 0.87880 1.00000
Os2 Os 0.26627 0.33253 0.54788 1.00000
Pt1 Pt 0.84901 0.75439 0.53036 1.00000
获取直接链接