MnIn(GaRh2)2
Alexandria ALEXAlex-ID: agm032153082 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_882_spg12
MnGa2Rh3 InRh
2024-11-15 08:06:05.477087
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm032153082).
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 agm032153082
data_agm032153082
_cell_length_a 7.63137
_cell_length_b 7.63137
_cell_length_c 7.63137
_cell_angle_alpha 33.15128
_cell_angle_beta 33.15128
_cell_angle_gamma 33.15128
_cell_volume 118.30449
_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
Mn1 Mn 0.00000 0.00000 0.00000 1.00000
In1 In 0.50000 0.50000 0.50000 1.00000
Ga1 Ga 0.74497 0.74497 0.74497 1.00000
Ga2 Ga 0.25503 0.25503 0.25503 1.00000
Rh1 Rh 0.37420 0.37420 0.37420 1.00000
Rh2 Rh 0.87789 0.87789 0.87789 1.00000
Rh3 Rh 0.12211 0.12211 0.12211 1.00000
Rh4 Rh 0.62580 0.62580 0.62580 1.00000
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