Ce8AlGa2
Alexandria ALEXAlex-ID: agm005990672 · 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
AB2C8_1013_spg71
CeAl2 Ce2Ga Ce
2023-09-25 07:47:08
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005990672).
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 agm005990672
data_agm005990672
_cell_length_a 4.47528
_cell_length_b 8.40087
_cell_length_c 8.50816
_cell_angle_alpha 115.30940
_cell_angle_beta 105.24579
_cell_angle_gamma 89.99907
_cell_volume 276.66763
_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 0.65874 0.90416 0.31742 1.00000
Ce2 Ce 0.36574 0.57820 0.73149 1.00000
Ce3 Ce 0.15132 0.11300 0.30257 1.00000
Ce4 Ce 0.01383 0.34527 0.02763 1.00000
Ce5 Ce 0.84868 0.88700 0.69743 1.00000
Ce6 Ce 0.63426 0.42180 0.26851 1.00000
Ce7 Ce 0.34126 0.09584 0.68258 1.00000
Ce8 Ce 0.98617 0.65473 0.97237 1.00000
Al1 Al 0.50000 0.00000 0.00000 1.00000
Ga1 Ga 0.20003 0.69712 0.40004 1.00000
Ga2 Ga 0.79997 0.30288 0.59996 1.00000
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