Li2Mg3Rh2
Alexandria ALEXAlex-ID: agm017282408 · 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
A2B2C3_1743_spg166
LiMg4Rh3 LiMg2Rh Li
2025-01-18 11:11:07
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017282408).
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 agm017282408
data_agm017282408
_cell_length_a 7.03639
_cell_length_b 7.03639
_cell_length_c 7.03639
_cell_angle_alpha 37.10823
_cell_angle_beta 37.10823
_cell_angle_gamma 37.10823
_cell_volume 113.64473
_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
Li1 Li 0.14650 0.14650 0.14650 1.00000
Li2 Li 0.85350 0.85350 0.85350 1.00000
Mg1 Mg 0.58149 0.58149 0.58149 1.00000
Mg2 Mg 0.41851 0.41851 0.41851 1.00000
Mg3 Mg 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.71696 0.71696 0.71696 1.00000
Rh2 Rh 0.28304 0.28304 0.28304 1.00000
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