VGeSb
Alexandria ALEXAlex-ID: agm002245477 · 空间群: Fddd (#70)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_239_spg70
V11Ge8 Sb Ge
2018-07-25 14:45:12
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002245477).
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 agm002245477
data_agm002245477
_cell_length_a 5.25282
_cell_length_b 5.30557
_cell_length_c 9.36136
_cell_angle_alpha 82.03031
_cell_angle_beta 73.69657
_cell_angle_gamma 60.37367
_cell_volume 217.66701
_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
Sb1 Sb 0.79737 0.74994 0.90522 1.00000
Sb2 Sb 0.95248 0.75006 0.59503 1.00000
Sb3 Sb 0.20263 0.25006 0.09478 1.00000
Sb4 Sb 0.04752 0.24993 0.40497 1.00000
Ge1 Ge 0.54056 0.41890 0.75000 1.00000
Ge2 Ge 0.20915 0.08155 0.74997 1.00000
Ge3 Ge 0.45944 0.58110 0.25000 1.00000
Ge4 Ge 0.79085 0.91845 0.25003 1.00000
V1 V 0.24756 0.75010 0.00431 1.00000
V2 V 0.50228 0.75000 0.49568 1.00000
V3 V 0.75245 0.24990 0.99569 1.00000
V4 V 0.49772 0.25000 0.50432 1.00000
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