V8CrFe2
Alexandria ALEXAlex-ID: agm044686631 · 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
AB2C8_279_spg12
V3Fe V9Fe2 V4CrFe
2024-12-24 00:37:36
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044686631).
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 agm044686631
data_agm044686631
_cell_length_a 6.39766
_cell_length_b 6.39766
_cell_length_c 6.40634
_cell_angle_alpha 61.20908
_cell_angle_beta 118.79092
_cell_angle_gamma 142.50092
_cell_volume 137.43391
_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 0.40691 0.59309 0.54914 1.00000
V2 V 0.67993 0.32007 0.91287 1.00000
V3 V 0.86401 0.13599 0.81640 1.00000
V4 V 0.95197 0.04803 0.27445 1.00000
V5 V 0.13599 0.86401 0.18360 1.00000
V6 V 0.32007 0.67993 0.08713 1.00000
V7 V 0.59309 0.40691 0.45086 1.00000
V8 V 0.04803 0.95197 0.72555 1.00000
Cr1 Cr 0.50000 0.50000 0.00000 1.00000
Fe1 Fe 0.77289 0.22711 0.36574 1.00000
Fe2 Fe 0.22711 0.77289 0.63426 1.00000
获取直接链接