Ac3Ge3Rh4
Alexandria ALEXAlex-ID: agm005679840 · 空间群: I-43d (#220)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B3C4_1_spg220
Ac3(GeRh)4 AcGe2Rh3 AcRh
2023-06-29 08:35:36.555071
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005679840).
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 agm005679840
data_agm005679840
_cell_length_a 8.47267
_cell_length_b 8.47267
_cell_length_c 8.47267
_cell_angle_alpha 109.47122
_cell_angle_beta 109.47123
_cell_angle_gamma 109.47122
_cell_volume 468.20864
_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
Ac1 Ac 0.62500 0.75000 0.87500 1.00000
Ac2 Ac 0.87500 0.25000 0.62500 1.00000
Ac3 Ac 0.12500 0.37500 0.25000 1.00000
Ac4 Ac 0.37500 0.12500 0.75000 1.00000
Ac5 Ac 0.25000 0.87500 0.12500 1.00000
Ac6 Ac 0.75000 0.62500 0.37500 1.00000
Ge1 Ge 0.12500 0.75000 0.37500 1.00000
Ge2 Ge 0.37500 0.25000 0.12500 1.00000
Ge3 Ge 0.62500 0.87500 0.25000 1.00000
Ge4 Ge 0.87500 0.62500 0.75000 1.00000
Ge5 Ge 0.25000 0.37500 0.62500 1.00000
Ge6 Ge 0.75000 0.12500 0.87500 1.00000
Rh1 Rh 1.00000 1.00000 0.35569 1.00000
Rh2 Rh 0.50000 0.35569 0.50000 1.00000
Rh3 Rh 0.64431 0.14431 0.14431 1.00000
Rh4 Rh 1.00000 1.00000 0.85569 1.00000
Rh5 Rh 0.85569 0.50000 1.00000 1.00000
Rh6 Rh 0.50000 0.85569 0.50000 1.00000
Rh7 Rh 0.35569 0.50000 1.00000 1.00000
Rh8 Rh 0.14431 0.64431 0.64431 1.00000
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