MgAl(GaRh2)2
Alexandria ALEXAlex-ID: agm040803137 · 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_898_spg12
MgAl(GaRh2)2
2024-09-04 20:41:14.555587
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040803137).
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 agm040803137
data_agm040803137
_cell_length_a 7.44550
_cell_length_b 7.44550
_cell_length_c 7.44550
_cell_angle_alpha 33.49262
_cell_angle_beta 33.49262
_cell_angle_gamma 33.49262
_cell_volume 111.94094
_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
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.50000 0.50000 0.50000 1.00000
Ga1 Ga 0.74772 0.74772 0.74772 1.00000
Ga2 Ga 0.25228 0.25228 0.25228 1.00000
Rh1 Rh 0.37845 0.37845 0.37845 1.00000
Rh2 Rh 0.87201 0.87201 0.87201 1.00000
Rh3 Rh 0.12799 0.12799 0.12799 1.00000
Rh4 Rh 0.62155 0.62155 0.62155 1.00000
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