Ce2(ThOs)3
Alexandria ALEXAlex-ID: agm009809272 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C3_15_spg12
Ce4Os3 Th7Os3 CeOs2
2024-05-28 17:10:31.534782
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009809272).
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 agm009809272
data_agm009809272
_cell_length_a 10.16889
_cell_length_b 10.16889
_cell_length_c 10.16889
_cell_angle_alpha 159.37838
_cell_angle_beta 149.50949
_cell_angle_gamma 37.09468
_cell_volume 187.67898
_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
Ce1 Ce 0.76180 0.76180 0.00000 1.00000
Ce2 Ce 0.23820 0.23820 0.00000 1.00000
Th1 Th 0.38083 0.88083 0.50000 1.00000
Th2 Th 0.61917 0.11917 0.50000 1.00000
Th3 Th 0.00000 0.00000 0.00000 1.00000
Os1 Os 0.87433 0.37433 0.50000 1.00000
Os2 Os 0.50000 0.50000 0.00000 1.00000
Os3 Os 0.12567 0.62567 0.50000 1.00000
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