Y3Ho(UAs2)4
Alexandria ALEXAlex-ID: agm045015481 · 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
YHo(UAs2)2 YUAs2
2025-02-28 10:51:52
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045015481).
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 agm045015481
data_agm045015481
_cell_length_a 8.26406
_cell_length_b 8.26406
_cell_length_c 8.26406
_cell_angle_alpha 58.97935
_cell_angle_beta 58.97935
_cell_angle_gamma 58.97935
_cell_volume 389.79224
_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
Y1 Y 0.00000 0.50000 0.50000 1.00000
Y2 Y 0.50000 0.00000 0.50000 1.00000
Y3 Y 0.50000 0.50000 0.00000 1.00000
Ho1 Ho 0.00000 0.00000 0.00000 1.00000
U1 U 0.50000 0.50000 0.50000 1.00000
U2 U 0.00000 0.00000 0.50000 1.00000
U3 U 0.50000 0.00000 0.00000 1.00000
U4 U 0.00000 0.50000 0.00000 1.00000
As1 As 0.74991 0.24860 0.74991 1.00000
As2 As 0.24860 0.74991 0.74991 1.00000
As3 As 0.75077 0.75077 0.75077 1.00000
As4 As 0.74991 0.74991 0.24860 1.00000
As5 As 0.25009 0.25009 0.75140 1.00000
As6 As 0.24923 0.24923 0.24923 1.00000
As7 As 0.75140 0.25009 0.25009 1.00000
As8 As 0.25009 0.75140 0.25009 1.00000
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