Mg2GaSnRu
Alexandria ALEXAlex-ID: agm005010753 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD2_1434_spg44
MgSn4Ru Mg3(GaRu)2 Mg2Sn Ga2Ru
2022-07-04 13:24:54.578527
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005010753).
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 agm005010753
data_agm005010753
_cell_length_a 3.29652
_cell_length_b 4.55125
_cell_length_c 7.15930
_cell_angle_alpha 108.53331
_cell_angle_beta 103.31042
_cell_angle_gamma 90.00000
_cell_volume 98.79448
_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 0.26307 0.26307 0.52614 1.00000
Mg2 Mg 0.92501 0.92501 0.85002 1.00000
Ga1 Ga 0.70135 0.70135 0.40269 1.00000
Sn1 Sn 0.49213 0.49213 0.98426 1.00000
Ru1 Ru 0.60152 0.10152 0.20303 1.00000
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