Y3Mg2Al
Alexandria ALEXAlex-ID: agm017407113 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_229_spg2
Y2MgAl YMg
2024-11-02 01:09:38.467801
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017407113).
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 agm017407113
data_agm017407113
_cell_length_a 8.34227
_cell_length_b 8.34227
_cell_length_c 7.49072
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 143.16516
_cell_volume 312.52804
_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
Y1 Y 0.82893 0.17107 0.76315 1.00000
Y2 Y 0.50000 0.50000 0.24283 1.00000
Y3 Y 0.17107 0.82893 0.23685 1.00000
Y4 Y 0.82893 0.17107 0.23685 1.00000
Y5 Y 0.17107 0.82893 0.76315 1.00000
Y6 Y 0.50000 0.50000 0.75717 1.00000
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
Mg2 Mg 0.00000 0.00000 0.50000 1.00000
Mg3 Mg 0.33476 0.66524 0.50000 1.00000
Mg4 Mg 0.66524 0.33476 0.50000 1.00000
Al1 Al 0.33919 0.66081 0.00000 1.00000
Al2 Al 0.66081 0.33919 0.00000 1.00000
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