V5ZnGe5
Alexandria ALEXAlex-ID: agm003672497 · 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
AB5C5_72_spg12
V11Ge8 Ge Zn
2022-04-09 19:24:57.501145
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003672497).
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 agm003672497
data_agm003672497
_cell_length_a 4.77445
_cell_length_b 5.42324
_cell_length_c 9.55396
_cell_angle_alpha 123.54199
_cell_angle_beta 90.00000
_cell_angle_gamma 116.11561
_cell_volume 175.08696
_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 0.67942 0.35884 0.32147 1.00000
V2 V 0.66756 0.33512 0.82951 1.00000
V3 V 0.00000 0.00000 0.50000 1.00000
V4 V 0.33244 0.66488 0.17049 1.00000
V5 V 0.32058 0.64116 0.67853 1.00000
Zn1 Zn 0.00000 0.00000 0.00000 1.00000
Ge1 Ge 0.88444 0.76887 0.17970 1.00000
Ge2 Ge 0.67032 0.34063 0.57156 1.00000
Ge3 Ge 0.50000 0.00000 0.00000 1.00000
Ge4 Ge 0.32968 0.65937 0.42844 1.00000
Ge5 Ge 0.11556 0.23113 0.82030 1.00000
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