Ce4PrU3As8
Alexandria ALEXAlex-ID: agm050746352 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C4D8_20_spg12
CePrAs2 CeAs UAs
2025-01-22 06:42:44
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm050746352).
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 agm050746352
data_agm050746352
_cell_length_a 8.37896
_cell_length_b 8.37896
_cell_length_c 8.37896
_cell_angle_alpha 59.72693
_cell_angle_beta 59.72693
_cell_angle_gamma 59.72693
_cell_volume 413.38457
_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 0.50000 0.50000 0.50000 1.00000
Ce2 Ce 0.00000 0.00000 0.50000 1.00000
Ce3 Ce 0.50000 0.00000 0.00000 1.00000
Ce4 Ce 0.00000 0.50000 0.00000 1.00000
Pr1 Pr 0.00000 0.00000 0.00000 1.00000
U1 U 0.00000 0.50000 0.50000 1.00000
U2 U 0.50000 0.00000 0.50000 1.00000
U3 U 0.50000 0.50000 0.00000 1.00000
As1 As 0.74768 0.25929 0.74768 1.00000
As2 As 0.25929 0.74768 0.74768 1.00000
As3 As 0.74688 0.74688 0.74688 1.00000
As4 As 0.74768 0.74768 0.25929 1.00000
As5 As 0.25232 0.25232 0.74071 1.00000
As6 As 0.25312 0.25312 0.25312 1.00000
As7 As 0.74071 0.25232 0.25232 1.00000
As8 As 0.25232 0.74071 0.25232 1.00000
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