Ce3(CoNi)2
Alexandria ALEXAlex-ID: agm009647355 · 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
A2B2C3_33_spg71
Ce2Co3Ni Ce2Co3 CeNi
2024-03-24 20:17:29.053496
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009647355).
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 agm009647355
data_agm009647355
_cell_length_a 8.65034
_cell_length_b 8.65034
_cell_length_c 8.65034
_cell_angle_alpha 155.09946
_cell_angle_beta 150.98193
_cell_angle_gamma 38.60126
_cell_volume 131.98840
_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 0.00000 0.00000 1.00000
Ce2 Ce 0.32107 0.82107 0.50000 1.00000
Ce3 Ce 0.67893 0.17893 0.50000 1.00000
Co1 Co 0.42901 0.42901 0.00000 1.00000
Co2 Co 0.57099 0.57099 0.00000 1.00000
Ni1 Ni 0.85288 0.35288 0.50000 1.00000
Ni2 Ni 0.14712 0.64712 0.50000 1.00000
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