U3Ga3RuRh2
Alexandria ALEXAlex-ID: agm040398331 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D3_12_spg6
UGaRh U2GaRu2 UGa5Rh
2024-09-14 08:01:19.875220
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040398331).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm040398331
data_agm040398331
_cell_length_a 4.52166
_cell_length_b 6.15862
_cell_length_c 23.55170
_cell_angle_alpha 89.73339
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 655.84059
_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 0.00000 0.47683 0.93186 1.00000
U2 U 0.00000 0.48280 0.59950 1.00000
U3 U 0.00000 0.48021 0.26545 1.00000
U4 U 0.00000 0.97745 0.90094 1.00000
U5 U 0.00000 0.98371 0.57031 1.00000
U6 U 0.00000 0.98162 0.23645 1.00000
U7 U 0.50000 0.51840 0.73635 1.00000
U8 U 0.50000 0.51248 0.40217 1.00000
U9 U 0.50000 0.50993 0.06824 1.00000
U10 U 0.50000 0.01732 0.76422 1.00000
U11 U 0.50000 0.02224 0.42972 1.00000
U12 U 0.50000 0.02015 0.09598 1.00000
Ga1 Ga 0.00000 0.32416 0.80725 1.00000
Ga2 Ga 0.00000 0.32486 0.47438 1.00000
Ga3 Ga 0.00000 0.32293 0.14041 1.00000
Ga4 Ga 0.00000 0.82463 0.69365 1.00000
Ga5 Ga 0.00000 0.82100 0.35990 1.00000
Ga6 Ga 0.00000 0.82029 0.02578 1.00000
Ga7 Ga 0.50000 0.67385 0.85959 1.00000
Ga8 Ga 0.50000 0.67796 0.52607 1.00000
Ga9 Ga 0.50000 0.67605 0.19226 1.00000
Ga10 Ga 0.50000 0.17203 0.97302 1.00000
Ga11 Ga 0.50000 0.17976 0.64108 1.00000
Ga12 Ga 0.50000 0.17728 0.30676 1.00000
Ru1 Ru 0.00000 0.25968 0.69518 1.00000
Ru2 Ru 0.00000 0.25624 0.36192 1.00000
Ru3 Ru 0.00000 0.25397 0.02798 1.00000
Ru4 Ru 0.00000 0.75781 0.80564 1.00000
Rh1 Rh 0.00000 0.75485 0.47140 1.00000
Rh2 Rh 0.00000 0.75279 0.13745 1.00000
Rh3 Rh 0.50000 0.74460 0.97061 1.00000
Rh4 Rh 0.50000 0.75152 0.63722 1.00000
Rh5 Rh 0.50000 0.74829 0.30371 1.00000
Rh6 Rh 0.50000 0.24666 0.86248 1.00000
Rh7 Rh 0.50000 0.24881 0.52958 1.00000
Rh8 Rh 0.50000 0.24683 0.19548 1.00000
