V4Cr3Fe2
Alexandria ALEXAlex-ID: agm005641098 · 空间群: P-3m1 (#164)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_138_spg12
VCr5 V2CrFe VFe3
2023-06-29 05:47:41.218581
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005641098).
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 agm005641098
data_agm005641098
_cell_length_a 4.06818
_cell_length_b 4.06815
_cell_length_c 7.50632
_cell_angle_alpha 89.99981
_cell_angle_beta 89.99977
_cell_angle_gamma 59.99986
_cell_volume 107.58569
_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 0.66666 0.66669 0.89110 1.00000
V2 V 0.00000 1.00000 0.33049 1.00000
V3 V 1.00000 0.00000 0.66951 1.00000
V4 V 0.33334 0.33331 0.10890 1.00000
Cr1 Cr 0.33334 0.33332 0.44695 1.00000
Cr2 Cr 0.00000 0.00000 0.00000 1.00000
Cr3 Cr 0.66666 0.66668 0.55305 1.00000
Fe1 Fe 0.33334 0.33333 0.77803 1.00000
Fe2 Fe 0.66666 0.66667 0.22197 1.00000
获取直接链接