Ce2H5Os2
Alexandria ALEXAlex-ID: agm007134630 · 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
A2B2C5_327_spg46
CeH3 Os CeOs2
2024-03-05 13:17:46.755045
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007134630).
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}
}
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# CIF generated by HEAS from Alexandria entry agm007134630
data_agm007134630
_cell_length_a 8.22198
_cell_length_b 8.22198
_cell_length_c 7.39984
_cell_angle_alpha 69.45011
_cell_angle_beta 69.45011
_cell_angle_gamma 27.34642
_cell_volume 214.27373
_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 0.00000 0.50000 0.00000 1.00000
Ce2 Ce 0.50000 0.00000 0.50000 1.00000
Ce3 Ce 0.48968 0.51032 0.75000 1.00000
Ce4 Ce 0.51032 0.48968 0.25000 1.00000
H1 H 0.46593 0.98138 0.83640 1.00000
H2 H 0.01862 0.53407 0.66360 1.00000
H3 H 0.98138 0.46593 0.33640 1.00000
H4 H 0.53407 0.01862 0.16360 1.00000
H5 H 0.72426 0.50269 0.91542 1.00000
H6 H 0.27574 0.49731 0.08458 1.00000
H7 H 0.50269 0.72426 0.41542 1.00000
H8 H 0.49731 0.27574 0.58458 1.00000
H9 H 0.00000 0.00000 0.00000 1.00000
H10 H 0.00000 0.00000 0.50000 1.00000
Os1 Os 0.99788 0.23167 0.41106 1.00000
Os2 Os 0.00212 0.76833 0.58894 1.00000
Os3 Os 0.23167 0.99788 0.91106 1.00000
Os4 Os 0.76833 0.00212 0.08894 1.00000
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