V4Ga3H2
Alexandria ALEXAlex-ID: agm005658576 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_141_spg12
V2Ga5 V7Ga3H2 V3GaH3
2023-06-27 03:42:44.336211
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005658576).
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 agm005658576
data_agm005658576
_cell_length_a 3.37926
_cell_length_b 4.85111
_cell_length_c 6.72078
_cell_angle_alpha 95.61840
_cell_angle_beta 90.00000
_cell_angle_gamma 110.38323
_cell_volume 102.71120
_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
V1 V 0.70856 0.41711 0.13191 1.00000
V2 V 0.29144 0.58289 0.86809 1.00000
V3 V 0.86492 0.72985 0.58655 1.00000
V4 V 0.13508 0.27015 0.41345 1.00000
Ga1 Ga 0.58251 0.16501 0.72105 1.00000
Ga2 Ga 0.00000 0.00000 0.00000 1.00000
Ga3 Ga 0.41749 0.83499 0.27895 1.00000
H1 H 0.70702 0.41405 0.40022 1.00000
H2 H 0.29298 0.58595 0.59978 1.00000
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