Mg4Ag2Ge
Alexandria ALEXAlex-ID: agm006002158 · 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
AB2C4_118_spg166
MgAg Mg2Ge
2023-10-13 18:55:53
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006002158).
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 agm006002158
data_agm006002158
_cell_length_a 4.63847
_cell_length_b 4.63847
_cell_length_c 8.24889
_cell_angle_alpha 73.67071
_cell_angle_beta 73.67072
_cell_angle_gamma 59.99998
_cell_volume 145.37497
_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 0.87127 0.87127 0.38619 1.00000
Mg2 Mg 0.12873 0.12873 0.61381 1.00000
Mg3 Mg 0.62116 0.62116 0.13653 1.00000
Mg4 Mg 0.37884 0.37884 0.86347 1.00000
Ag1 Ag 0.75171 0.75171 0.74488 1.00000
Ag2 Ag 0.24829 0.24829 0.25512 1.00000
Ge1 Ge 0.00000 0.00000 0.00000 1.00000
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