GaH6PtAu
Alexandria ALEXAlex-ID: agm007664895 · 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
ABCD6_169_spg1
H6Au GaPt
2024-02-08 03:32:05
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007664895).
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 agm007664895
data_agm007664895
_cell_length_a 5.12629
_cell_length_b 4.88410
_cell_length_c 5.35915
_cell_angle_alpha 95.78008
_cell_angle_beta 86.64604
_cell_angle_gamma 127.14546
_cell_volume 106.41038
_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
Ga1 Ga 0.37705 0.76780 0.49589 1.00000
H1 H 0.93782 0.60260 0.50987 1.00000
H2 H 0.45936 0.17315 0.68943 1.00000
H3 H 0.21225 0.52562 0.88779 1.00000
H4 H 0.92578 0.71440 0.93570 1.00000
H5 H 0.72594 0.11098 0.98930 1.00000
H6 H 0.90162 0.09011 0.60630 1.00000
Pt1 Pt 0.85458 0.36016 0.75719 1.00000
Au1 Au 0.60563 0.65513 0.12873 1.00000
获取直接链接