La3Ga3Os2
Alexandria ALEXAlex-ID: agm002275151 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C3_13_spg12
LaGa Os
2023-03-25 17:38:44.097487
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002275151).
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 agm002275151
data_agm002275151
_cell_length_a 4.44873
_cell_length_b 5.32147
_cell_length_c 8.56092
_cell_angle_alpha 97.41277
_cell_angle_beta 105.04376
_cell_angle_gamma 90.08210
_cell_volume 193.95833
_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
Os1 Os 0.78499 0.93931 0.56953 1.00000
Os2 Os 0.21501 0.06070 0.43047 1.00000
Ga1 Ga 0.36561 0.93730 0.73084 1.00000
Ga2 Ga 0.50000 0.49998 0.00000 1.00000
Ga3 Ga 0.63439 0.06271 0.26916 1.00000
La1 La 0.84342 0.44083 0.68727 1.00000
La2 La 0.15658 0.55917 0.31273 1.00000
La3 La 0.00000 0.99999 0.00000 1.00000
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