Ce3(Ga2Co)2
Alexandria ALEXAlex-ID: agm005674080 · 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
A2B3C4_272_spg12
CeGa2 CeGaCo
2023-06-26 23:02:56.570832
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005674080).
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 agm005674080
data_agm005674080
_cell_length_a 4.28320
_cell_length_b 5.78934
_cell_length_c 8.14150
_cell_angle_alpha 70.75265
_cell_angle_beta 74.74906
_cell_angle_gamma 68.28927
_cell_volume 174.77259
_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 0.31434 0.74097 0.63034 1.00000
Ce2 Ce 0.00000 0.00000 0.00000 1.00000
Ce3 Ce 0.68566 0.25903 0.36966 1.00000
Ga1 Ga 0.26143 0.39336 0.08377 1.00000
Ga2 Ga 0.73857 0.60664 0.91623 1.00000
Ga3 Ga 0.01537 0.32154 0.64772 1.00000
Ga4 Ga 0.98463 0.67846 0.35228 1.00000
Co1 Co 0.39438 0.93450 0.27674 1.00000
Co2 Co 0.60562 0.06550 0.72326 1.00000
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