Mg3Co2Ag7
Alexandria ALEXAlex-ID: agm011908110 · 空间群: Fmmm (#69)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C7_163_spg69
MgAg3 Co MgAg
2024-06-24 11:25:39.716450
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011908110).
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 agm011908110
data_agm011908110
_cell_length_a 9.65789
_cell_length_b 9.32438
_cell_length_c 4.87005
_cell_angle_alpha 78.96321
_cell_angle_beta 71.37170
_cell_angle_gamma 29.66510
_cell_volume 202.19048
_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 0.50000 0.50000 0.50000 1.00000
Mg2 Mg 0.17074 0.17074 0.82926 1.00000
Mg3 Mg 0.82926 0.82926 0.17074 1.00000
Co1 Co 0.66605 0.66605 0.33395 1.00000
Co2 Co 0.33395 0.33395 0.66605 1.00000
Ag1 Ag 0.75000 0.75000 0.75000 1.00000
Ag2 Ag 0.25000 0.25000 0.25000 1.00000
Ag3 Ag 0.08780 0.08780 0.41220 1.00000
Ag4 Ag 0.00000 0.00000 0.00000 1.00000
Ag5 Ag 0.91220 0.91220 0.58780 1.00000
Ag6 Ag 0.41220 0.41220 0.08780 1.00000
Ag7 Ag 0.58780 0.58780 0.91220 1.00000
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