V5CuSe8
Alexandria ALEXAlex-ID: agm006117595 · 空间群: F-43m (#216)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C8_44_spg216
V7Se12 V3Se4 VCu3Se4
2023-08-11 08:29:02.908173
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006117595).
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 agm006117595
data_agm006117595
_cell_length_a 7.46269
_cell_length_b 7.46269
_cell_length_c 7.46269
_cell_angle_alpha 60.00000
_cell_angle_beta 60.00000
_cell_angle_gamma 60.00000
_cell_volume 293.88054
_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 0.00000 0.00000 0.00000 1.00000
V2 V 0.61586 0.61586 0.15242 1.00000
V3 V 0.61586 0.61586 0.61586 1.00000
V4 V 0.15242 0.61586 0.61586 1.00000
V5 V 0.61586 0.15242 0.61586 1.00000
Cu1 Cu 0.25000 0.25000 0.25000 1.00000
Se1 Se 0.37892 0.86324 0.37892 1.00000
Se2 Se 0.86324 0.37892 0.37892 1.00000
Se3 Se 0.37892 0.37892 0.37892 1.00000
Se4 Se 0.37892 0.37892 0.86324 1.00000
Se5 Se 0.86544 0.86544 0.40368 1.00000
Se6 Se 0.40368 0.86544 0.86544 1.00000
Se7 Se 0.86544 0.86544 0.86544 1.00000
Se8 Se 0.86544 0.40368 0.86544 1.00000
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