Co2As3
Alexandria ALEXAlex-ID: agm002265360 · 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
A2B3_319_spg12
CoAs CoAs2
2019-01-07 12:07:07
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002265360).
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 agm002265360
data_agm002265360
_cell_length_a 6.56244
_cell_length_b 7.41996
_cell_length_c 5.70192
_cell_angle_alpha 49.40991
_cell_angle_beta 64.28338
_cell_angle_gamma 48.17180
_cell_volume 157.10556
_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
As1 As 0.60202 0.28988 0.00000 1.00000
As2 As 0.39798 0.71012 1.00000 1.00000
As3 As 0.78573 0.97810 0.69008 1.00000
As4 As 0.21427 0.33183 0.69008 1.00000
As5 As 0.78573 0.66817 0.30992 1.00000
As6 As 0.21427 0.02190 0.30992 1.00000
Co1 Co 0.00001 0.83636 0.32729 1.00000
Co2 Co 0.99999 0.16364 0.67271 1.00000
Co3 Co 0.50000 0.00000 0.50000 1.00000
Co4 Co 0.50000 0.50000 0.50000 1.00000
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