MgAlH6Pt
Alexandria ALEXAlex-ID: agm007663333 · 空间群: C2 (#5)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD6_735_spg1
MgH6 AlPt
2024-02-10 16:55:13
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007663333).
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 agm007663333
data_agm007663333
_cell_length_a 4.33764
_cell_length_b 4.33764
_cell_length_c 5.72894
_cell_angle_alpha 70.13148
_cell_angle_beta 70.13148
_cell_angle_gamma 102.08029
_cell_volume 88.67998
_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 0.15805 0.84195 0.50000 1.00000
Al1 Al 0.26338 0.73662 0.00000 1.00000
H1 H 0.39410 0.41812 0.25796 1.00000
H2 H 0.93474 0.27187 0.77142 1.00000
H3 H 0.33386 0.04772 0.70674 1.00000
H4 H 0.58188 0.60590 0.74204 1.00000
H5 H 0.72813 0.06526 0.22858 1.00000
H6 H 0.95228 0.66614 0.29326 1.00000
Pt1 Pt 0.65139 0.34861 0.00000 1.00000
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