ThH4OsPt2
Alexandria ALEXAlex-ID: agm007100625 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_12_spg121
ThH6Os Th(HPt)3 Os
2024-03-26 04:04:43.058287
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007100625).
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 agm007100625
data_agm007100625
_cell_length_a 4.59204
_cell_length_b 4.59695
_cell_length_c 5.68941
_cell_angle_alpha 114.07880
_cell_angle_beta 88.99932
_cell_angle_gamma 121.14108
_cell_volume 90.92490
_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
Th1 Th 0.19988 0.65489 0.08560 1.00000
H1 H 0.62947 0.53646 0.80797 1.00000
H2 H 0.86316 0.01645 0.11021 1.00000
H3 H 0.56512 0.37029 0.16446 1.00000
H4 H 0.04220 0.94867 0.80826 1.00000
Os1 Os 0.67937 0.59731 0.50601 1.00000
Pt1 Pt 0.41680 0.03456 0.68034 1.00000
Pt2 Pt 0.99105 0.22843 0.45011 1.00000
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