AlGa(H4Pt)2
Alexandria ALEXAlex-ID: agm007750002 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_1920_spg1
AlPt H2 GaPt
2024-02-08 23:56:31
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007750002).
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 agm007750002
data_agm007750002
_cell_length_a 4.47905
_cell_length_b 5.17283
_cell_length_c 7.89217
_cell_angle_alpha 98.86082
_cell_angle_beta 119.80779
_cell_angle_gamma 108.15563
_cell_volume 139.78219
_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
Al1 Al 0.82467 0.01908 0.99236 1.00000
Ga1 Ga 0.74027 0.65805 0.51012 1.00000
H1 H 0.33861 0.06393 0.29910 1.00000
H2 H 0.03026 0.30940 0.41599 1.00000
H3 H 0.25752 0.92342 0.58366 1.00000
H4 H 0.39073 0.45507 0.17751 1.00000
H5 H 0.56459 0.44633 0.73121 1.00000
H6 H 0.57348 0.88895 0.13838 1.00000
H7 H 0.71367 0.32916 0.05362 1.00000
H8 H 0.17107 0.56140 0.76929 1.00000
Pt1 Pt 0.53848 0.19889 0.18791 1.00000
Pt2 Pt 0.35665 0.64631 0.64086 1.00000
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