Mg4Ga5Ag
Alexandria ALEXAlex-ID: agm006115945 · 空间群: I4 (#79)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C5_149_spg79
Mg4GaAg3 Mg2Ga5 MgGa
2023-10-11 09:24:46
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006115945).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm006115945
data_agm006115945
_cell_length_a 5.79922
_cell_length_b 6.61786
_cell_length_c 6.61785
_cell_angle_alpha 78.93191
_cell_angle_beta 64.01412
_cell_angle_gamma 64.01408
_cell_volume 205.22428
_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 0.86432 0.63148 0.74406 1.00000
Mg2 Mg 0.60838 0.25594 0.63148 1.00000
Mg3 Mg 0.49579 0.74406 0.36852 1.00000
Mg4 Mg 0.23985 0.36852 0.25594 1.00000
Ga1 Ga 0.28751 0.66910 0.85893 1.00000
Ga2 Ga 0.14644 0.14107 0.66910 1.00000
Ga3 Ga 0.95661 0.85893 0.33090 1.00000
Ga4 Ga 0.81554 0.33090 0.14107 1.00000
Ga5 Ga 0.31727 0.00000 1.00000 1.00000
Ag1 Ag 0.75798 0.00000 1.00000 1.00000
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