U2GeAu3
Alexandria ALEXAlex-ID: agm015935807 · 空间群: Fmmm (#69)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_458_spg2
U2GeAu3
2025-04-15 05:52:28
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm015935807).
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 agm015935807
data_agm015935807
_cell_length_a 9.66857
_cell_length_b 8.91756
_cell_length_c 5.68205
_cell_angle_alpha 79.58081
_cell_angle_beta 65.10976
_cell_angle_gamma 35.30944
_cell_volume 244.19515
_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 0.75000 0.75000 0.75000 1.00000
U2 U 0.72822 0.27178 0.27178 1.00000
U3 U 0.25000 0.25000 0.25000 1.00000
U4 U 0.27178 0.72822 0.72822 1.00000
Ge1 Ge 0.16513 0.16513 0.83487 1.00000
Ge2 Ge 0.83487 0.83487 0.16513 1.00000
Au1 Au 0.32651 0.84152 0.15848 1.00000
Au2 Au 0.15848 0.67349 0.32651 1.00000
Au3 Au 0.67349 0.15848 0.84152 1.00000
Au4 Au 0.84152 0.32651 0.67349 1.00000
Au5 Au 0.66895 0.66895 0.33105 1.00000
Au6 Au 0.33105 0.33105 0.66895 1.00000
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