La3AsHOs
Alexandria ALEXAlex-ID: agm007651652 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD3_1_spg11
La7Os3 LaAs Os LaH2
2024-07-09 21:43:51.592871
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007651652).
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 agm007651652
data_agm007651652
_cell_length_a 4.16615
_cell_length_b 8.83096
_cell_length_c 8.64608
_cell_angle_alpha 78.78898
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 312.02894
_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
La1 La 0.25000 0.02521 0.80305 1.00000
La2 La 0.75000 0.36901 0.88407 1.00000
La3 La 0.75000 0.33346 0.42414 1.00000
La4 La 0.75000 0.97479 0.19695 1.00000
La5 La 0.25000 0.66654 0.57586 1.00000
La6 La 0.25000 0.63099 0.11593 1.00000
As1 As 0.75000 0.74740 0.83233 1.00000
As2 As 0.25000 0.25260 0.16767 1.00000
H1 H 0.25000 0.91234 0.07960 1.00000
H2 H 0.75000 0.08766 0.92040 1.00000
Os1 Os 0.25000 0.32824 0.66575 1.00000
Os2 Os 0.75000 0.67176 0.33425 1.00000
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