Sm2Ge4Rh3
Alexandria ALEXAlex-ID: agm003333970 · 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
A2B3C4_36_spg69
Sm(GeRh)2 SmGe2Rh
2022-01-27 05:02:38.893923
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003333970).
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 agm003333970
data_agm003333970
_cell_length_a 5.62373
_cell_length_b 5.62373
_cell_length_c 6.79892
_cell_angle_alpha 101.79215
_cell_angle_beta 101.79215
_cell_angle_gamma 120.38879
_cell_volume 169.08103
_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
Sm1 Sm 0.63300 0.63300 0.26600 1.00000
Sm2 Sm 0.36700 0.36700 0.73400 1.00000
Ge1 Ge 0.01192 0.67223 0.68415 1.00000
Ge2 Ge 0.67223 0.01192 0.68415 1.00000
Ge3 Ge 0.98808 0.32777 0.31585 1.00000
Ge4 Ge 0.32777 0.98808 0.31585 1.00000
Rh1 Rh 0.50000 0.00000 0.00000 1.00000
Rh2 Rh 0.00000 0.00000 0.00000 1.00000
Rh3 Rh 0.00000 0.50000 0.00000 1.00000
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