Ce3GaRu
Alexandria ALEXAlex-ID: agm005791595 · 空间群: Fmmm (#69)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_7305_spg69
Ce2GaRu Ce2Ga Ce6GaRu2
2023-07-04 00:12:05.520809
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005791595).
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 agm005791595
data_agm005791595
_cell_length_a 5.54869
_cell_length_b 5.54869
_cell_length_c 8.61418
_cell_angle_alpha 102.56986
_cell_angle_beta 102.56882
_cell_angle_gamma 108.92314
_cell_volume 232.63200
_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 0.30245 0.80244 0.10489 1.00000
Ce2 Ce 0.69755 0.19756 0.89511 1.00000
Ce3 Ce 0.11410 0.20205 0.31615 1.00000
Ce4 Ce 0.88590 0.79795 0.68385 1.00000
Ce5 Ce 0.70205 0.61411 0.31616 1.00000
Ce6 Ce 0.29795 0.38589 0.68384 1.00000
Ga1 Ga 0.69315 0.19315 0.50000 1.00000
Ga2 Ga 0.30685 0.80685 0.50000 1.00000
Ru1 Ru 0.25000 0.25000 1.00000 1.00000
Ru2 Ru 0.75000 0.75000 0.00000 1.00000
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