Mg3CuAu2
Alexandria ALEXAlex-ID: agm017357511 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_7_spg15
Mg2Au Cu MgAu
2025-04-14 03:04:46
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017357511).
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 agm017357511
data_agm017357511
_cell_length_a 7.65262
_cell_length_b 7.65262
_cell_length_c 5.21605
_cell_angle_alpha 84.82506
_cell_angle_beta 95.17494
_cell_angle_gamma 136.98470
_cell_volume 207.40499
_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 0.37923 0.37923 0.25000 1.00000
Mg2 Mg 0.62077 0.62077 0.75000 1.00000
Mg3 Mg 0.29627 0.96383 0.08849 1.00000
Mg4 Mg 0.96383 0.29627 0.41151 1.00000
Mg5 Mg 0.03617 0.70373 0.58849 1.00000
Mg6 Mg 0.70373 0.03617 0.91151 1.00000
Cu1 Cu 0.11221 0.11221 0.75000 1.00000
Cu2 Cu 0.88779 0.88779 0.25000 1.00000
Au1 Au 0.51924 0.19934 0.59238 1.00000
Au2 Au 0.80066 0.48076 0.09238 1.00000
Au3 Au 0.19934 0.51924 0.90762 1.00000
Au4 Au 0.48076 0.80066 0.40762 1.00000
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