SrGa(H3Os)2
Alexandria ALEXAlex-ID: agm008004635 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_690_spg15
SrH8Os Sr2H6Os Ga3Os Os
2024-02-08 06:27:41
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008004635).
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
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# CIF generated by HEAS from Alexandria entry agm008004635
data_agm008004635
_cell_length_a 7.41066
_cell_length_b 7.41066
_cell_length_c 4.43438
_cell_angle_alpha 87.87101
_cell_angle_beta 87.87101
_cell_angle_gamma 116.40673
_cell_volume 217.57456
_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
Sr1 Sr 0.65911 0.34089 0.75000 1.00000
Sr2 Sr 0.34089 0.65911 0.25000 1.00000
Ga1 Ga 0.10780 0.89220 0.75000 1.00000
Ga2 Ga 0.89220 0.10780 0.25000 1.00000
H1 H 0.61689 0.98410 0.99929 1.00000
H2 H 0.01590 0.38311 0.50071 1.00000
H3 H 0.38311 0.01590 0.00071 1.00000
H4 H 0.98410 0.61689 0.49929 1.00000
H5 H 0.69824 0.68901 0.54484 1.00000
H6 H 0.31099 0.30176 0.95516 1.00000
H7 H 0.30176 0.31099 0.45516 1.00000
H8 H 0.68901 0.69824 0.04484 1.00000
H9 H 0.50987 0.82596 0.67676 1.00000
H10 H 0.17404 0.49013 0.82324 1.00000
H11 H 0.49013 0.17404 0.32324 1.00000
H12 H 0.82596 0.50987 0.17676 1.00000
Os1 Os 0.90690 0.74519 0.27381 1.00000
Os2 Os 0.25481 0.09310 0.22619 1.00000
Os3 Os 0.09310 0.25481 0.72619 1.00000
Os4 Os 0.74519 0.90690 0.77381 1.00000
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