GaMo2H7
Alexandria ALEXAlex-ID: agm006201010 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_484_spg166
Mo2H3 Ga4Mo H2
2023-11-18 17:41:34
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201010).
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 agm006201010
data_agm006201010
_cell_length_a 3.50282
_cell_length_b 3.50294
_cell_length_c 7.35165
_cell_angle_alpha 103.71979
_cell_angle_beta 76.27850
_cell_angle_gamma 119.91459
_cell_volume 75.19564
_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
H1 H 0.02687 0.79687 0.33061 1.00000
H2 H 0.91955 0.91439 0.66301 1.00000
H3 H 0.41452 0.40941 0.66304 1.00000
H4 H 0.02743 0.30154 0.32989 1.00000
H5 H 0.47305 0.85629 0.49683 1.00000
H6 H 0.53200 0.30204 0.33058 1.00000
H7 H 0.91919 0.40979 0.66370 1.00000
Mo1 Mo 0.38957 0.93934 0.74865 1.00000
Mo2 Mo 0.55693 0.77202 0.24499 1.00000
Ga1 Ga 0.97329 0.35569 0.99686 1.00000
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