Ce(Y4Bi3)2
Alexandria ALEXAlex-ID: agm072963829 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C8_73_spg148
CeYBi Y5Bi3 YBi
2024-10-08 12:39:39.651707
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072963829).
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 agm072963829
data_agm072963829
_cell_length_a 8.27060
_cell_length_b 8.27060
_cell_length_c 8.27060
_cell_angle_alpha 68.04430
_cell_angle_beta 68.04430
_cell_angle_gamma 68.04430
_cell_volume 468.27969
_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
Y1 Y 0.17388 0.17388 0.17388 1.00000
Y2 Y 0.82612 0.82612 0.82612 1.00000
Y3 Y 0.67330 0.16554 0.41581 1.00000
Y4 Y 0.41581 0.67330 0.16554 1.00000
Y5 Y 0.16554 0.41581 0.67330 1.00000
Y6 Y 0.32670 0.83446 0.58419 1.00000
Y7 Y 0.58419 0.32670 0.83446 1.00000
Y8 Y 0.83446 0.58419 0.32670 1.00000
Bi1 Bi 0.02771 0.80444 0.41858 1.00000
Bi2 Bi 0.41858 0.02771 0.80444 1.00000
Bi3 Bi 0.80444 0.41858 0.02771 1.00000
Bi4 Bi 0.97229 0.19556 0.58142 1.00000
Bi5 Bi 0.58142 0.97229 0.19556 1.00000
Bi6 Bi 0.19556 0.58142 0.97229 1.00000
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