MgAl2Zn
Alexandria ALEXAlex-ID: agm005656209 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_547_spg62
MgAl19 Mg4Zn7 MgZn
2023-07-12 06:37:01.688797
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005656209).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005656209
data_agm005656209
_cell_length_a 5.11546
_cell_length_b 7.50758
_cell_length_c 15.04581
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 577.83013
_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 0.45420 0.25000 0.14340 1.00000
Mg2 Mg 0.95420 0.75000 0.35660 1.00000
Mg3 Mg 0.54580 0.75000 0.85660 1.00000
Mg4 Mg 0.04580 0.25000 0.64340 1.00000
Mg5 Mg 0.73554 0.25000 0.38910 1.00000
Mg6 Mg 0.23554 0.75000 0.11090 1.00000
Mg7 Mg 0.26446 0.75000 0.61090 1.00000
Mg8 Mg 0.76446 0.25000 0.88910 1.00000
Al1 Al 0.94392 0.05394 0.21587 1.00000
Al2 Al 0.44392 0.94606 0.28413 1.00000
Al3 Al 0.05608 0.55394 0.78413 1.00000
Al4 Al 0.55608 0.44606 0.71587 1.00000
Al5 Al 0.05608 0.94606 0.78413 1.00000
Al6 Al 0.55608 0.05394 0.71587 1.00000
Al7 Al 0.94392 0.44606 0.21587 1.00000
Al8 Al 0.44392 0.55394 0.28413 1.00000
Al9 Al 0.73747 0.55407 0.03142 1.00000
Al10 Al 0.23747 0.44593 0.46858 1.00000
Al11 Al 0.26253 0.05407 0.96858 1.00000
Al12 Al 0.76253 0.94593 0.53142 1.00000
Al13 Al 0.26253 0.44593 0.96858 1.00000
Al14 Al 0.76253 0.55407 0.53142 1.00000
Al15 Al 0.73747 0.94593 0.03142 1.00000
Al16 Al 0.23747 0.05407 0.46858 1.00000
Zn1 Zn 0.22758 0.25000 0.32398 1.00000
Zn2 Zn 0.72758 0.75000 0.17602 1.00000
Zn3 Zn 0.77242 0.75000 0.67602 1.00000
Zn4 Zn 0.27242 0.25000 0.82398 1.00000
Zn5 Zn 0.95710 0.25000 0.06931 1.00000
Zn6 Zn 0.45710 0.75000 0.43069 1.00000
Zn7 Zn 0.04290 0.75000 0.93069 1.00000
Zn8 Zn 0.54290 0.25000 0.56931 1.00000
