V12GaSb3
Alexandria ALEXAlex-ID: agm045972571 · 空间群: Pmmm (#47)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C12_4_spg47
V3Ga V3Sb
2024-12-20 17:35:10
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045972571).
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 agm045972571
data_agm045972571
_cell_length_a 4.91709
_cell_length_b 4.90376
_cell_length_c 9.74911
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 235.07283
_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 0.50000 0.00000 0.37946 1.00000
V2 V 0.50000 0.00000 0.87259 1.00000
V3 V 0.00000 0.25008 0.00000 1.00000
V4 V 0.00000 0.26437 0.50000 1.00000
V5 V 0.74758 0.50000 0.25598 1.00000
V6 V 0.74758 0.50000 0.74402 1.00000
V7 V 0.50000 0.00000 0.12741 1.00000
V8 V 0.50000 0.00000 0.62054 1.00000
V9 V 0.00000 0.74992 0.00000 1.00000
V10 V 0.00000 0.73563 0.50000 1.00000
V11 V 0.25242 0.50000 0.25598 1.00000
V12 V 0.25242 0.50000 0.74402 1.00000
Ga1 Ga 0.50000 0.50000 0.50000 1.00000
Sb1 Sb 0.00000 0.00000 0.25108 1.00000
Sb2 Sb 0.00000 0.00000 0.74892 1.00000
Sb3 Sb 0.50000 0.50000 0.00000 1.00000
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