Cd3Os4
Alexandria ALEXAlex-ID: agm005485294 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4_17_spg139
Os Cd
2023-03-19 10:30:07.824350
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005485294).
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 agm005485294
data_agm005485294
_cell_length_a 14.66125
_cell_length_b 14.66125
_cell_length_c 14.66125
_cell_angle_alpha 168.82368
_cell_angle_beta 168.82368
_cell_angle_gamma 15.83096
_cell_volume 118.39414
_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
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
Cd2 Cd 0.70643 0.70643 0.00000 1.00000
Cd3 Cd 0.29357 0.29357 0.00000 1.00000
Os1 Os 0.86826 0.86826 0.00000 1.00000
Os2 Os 0.57628 0.57628 0.00000 1.00000
Os3 Os 0.42372 0.42372 0.00000 1.00000
Os4 Os 0.13174 0.13174 0.00000 1.00000
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