Mg2ZnGaRu
Alexandria ALEXAlex-ID: agm005010756 · 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_1698_spg44
Mg2Ga3Ru Mg3(GaRu)2 Mg2Ga Mg2Zn3Ru
2022-07-04 13:31:32.436392
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005010756).
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 agm005010756
data_agm005010756
_cell_length_a 2.96044
_cell_length_b 4.51321
_cell_length_c 7.09769
_cell_angle_alpha 108.53810
_cell_angle_beta 102.03736
_cell_angle_gamma 90.00000
_cell_volume 87.71010
_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 0.27670 0.27670 0.55340 1.00000
Mg2 Mg 0.92263 0.92263 0.84525 1.00000
Zn1 Zn 0.49206 0.49206 0.98412 1.00000
Ga1 Ga 0.69099 0.69099 0.38198 1.00000
Ru1 Ru 0.60070 0.10070 0.20139 1.00000
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