UTe3Au5
Alexandria ALEXAlex-ID: agm072800860 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_1205_spg8
TeAu UTe2 Au
2024-09-24 23:25:16.094360
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072800860).
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 agm072800860
data_agm072800860
_cell_length_a 6.18399
_cell_length_b 6.18243
_cell_length_c 6.45701
_cell_angle_alpha 101.16269
_cell_angle_beta 101.17225
_cell_angle_gamma 98.99271
_cell_volume 232.73700
_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
U1 U 0.07001 0.07017 0.01181 1.00000
Te1 Te 0.41550 0.41557 0.39859 1.00000
Te2 Te 0.97346 0.54856 0.99900 1.00000
Te3 Te 0.54830 0.97375 0.99882 1.00000
Au1 Au 0.95226 0.95199 0.52046 1.00000
Au2 Au 0.33201 0.86477 0.35363 1.00000
Au3 Au 0.64847 0.19505 0.68186 1.00000
Au4 Au 0.86475 0.33207 0.35366 1.00000
Au5 Au 0.19526 0.64806 0.68217 1.00000
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