Hf5Ga5Mo
Alexandria ALEXAlex-ID: agm003673722 · 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
AB5C5_34_spg65
HfGa GaMo3 HfMo2
2022-04-09 12:06:28.158603
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003673722).
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 agm003673722
data_agm003673722
_cell_length_a 4.66166
_cell_length_b 7.58411
_cell_length_c 6.29146
_cell_angle_alpha 90.00516
_cell_angle_beta 90.00005
_cell_angle_gamma 107.92632
_cell_volume 211.63317
_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
Hf1 Hf 0.63936 0.27868 0.26384 1.00000
Hf2 Hf 0.63931 0.27858 0.73601 1.00000
Hf3 Hf 0.00000 0.00000 0.50000 1.00000
Hf4 Hf 0.36069 0.72142 0.26399 1.00000
Hf5 Hf 0.36064 0.72132 0.73616 1.00000
Ga1 Ga 0.81130 0.62260 0.00018 1.00000
Ga2 Ga 0.80879 0.61740 0.50015 1.00000
Ga3 Ga 0.50000 0.00000 0.00000 1.00000
Ga4 Ga 0.19121 0.38260 0.49985 1.00000
Ga5 Ga 0.18870 0.37740 0.99982 1.00000
Mo1 Mo 0.00000 0.00000 0.00000 1.00000
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