Ce2YHoBi4
Alexandria ALEXAlex-ID: agm044890828 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_272_spg15
CeYBi2 YHo3Bi4 CeBi
2024-12-12 11:18:47
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044890828).
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 agm044890828
data_agm044890828
_cell_length_a 9.07445
_cell_length_b 9.07445
_cell_length_c 9.07445
_cell_angle_alpha 120.03035
_cell_angle_beta 119.97971
_cell_angle_gamma 89.99130
_cell_volume 528.33926
_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 0.50000 0.50000 1.00000
Ce2 Ce 0.50000 0.50000 0.00000 1.00000
Ce3 Ce 0.50000 0.00000 0.00000 1.00000
Ce4 Ce 0.50000 0.50000 0.50000 1.00000
Y1 Y 0.50000 0.00000 0.50000 1.00000
Y2 Y 0.00000 0.00000 0.00000 1.00000
Ho1 Ho 0.00000 0.50000 0.00000 1.00000
Ho2 Ho 0.00000 0.00000 0.50000 1.00000
Bi1 Bi 0.24738 0.24323 0.49584 1.00000
Bi2 Bi 0.24738 0.75154 0.00416 1.00000
Bi3 Bi 0.75262 0.24846 0.99584 1.00000
Bi4 Bi 0.75262 0.75677 0.50416 1.00000
Bi5 Bi 0.24682 0.75211 0.49471 1.00000
Bi6 Bi 0.75739 0.75211 0.00529 1.00000
Bi7 Bi 0.24261 0.24789 0.99471 1.00000
Bi8 Bi 0.75318 0.24789 0.50529 1.00000
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