AlRh2(AuO2)3
Alexandria ALEXAlex-ID: agm024665309 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D6_175_spg12
Au2O3 RhO2 Al2O3 Au
2025-01-23 04:55:13
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024665309).
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 agm024665309
data_agm024665309
_cell_length_a 5.31058
_cell_length_b 5.31058
_cell_length_c 6.46335
_cell_angle_alpha 82.10519
_cell_angle_beta 97.89481
_cell_angle_gamma 59.99515
_cell_volume 151.77875
_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
Al1 Al 0.00000 0.00000 0.50000 1.00000
Rh1 Rh 0.66661 0.66661 0.50000 1.00000
Rh2 Rh 0.33339 0.33339 0.50000 1.00000
Au1 Au 0.83584 0.83584 0.00000 1.00000
Au2 Au 0.16416 0.16416 0.00000 1.00000
Au3 Au 0.50000 0.50000 0.00000 1.00000
O1 O 0.73587 0.94635 0.65953 1.00000
O2 O 0.62976 0.37024 0.34042 1.00000
O3 O 0.26413 0.05365 0.34047 1.00000
O4 O 0.05365 0.26413 0.65953 1.00000
O5 O 0.37024 0.62976 0.65958 1.00000
O6 O 0.94635 0.73587 0.34047 1.00000
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