V6FeCo5
Alexandria ALEXAlex-ID: agm006136010 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_53_spg71
V6FeCo VFe3 VCo3
2023-09-11 06:01:05.069961
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006136010).
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 agm006136010
data_agm006136010
_cell_length_a 4.08148
_cell_length_b 5.79039
_cell_length_c 7.07755
_cell_angle_alpha 65.84972
_cell_angle_beta 73.19003
_cell_angle_gamma 89.99982
_cell_volume 144.75782
_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
Co1 Co 0.66746 0.16773 0.66471 1.00000
Co2 Co 0.33431 0.33439 0.33144 1.00000
Co3 Co 0.00000 0.50000 0.00000 1.00000
Co4 Co 0.66569 0.66561 0.66856 1.00000
Co5 Co 0.33254 0.83227 0.33529 1.00000
Fe1 Fe 0.00000 0.00000 0.00000 1.00000
V1 V 0.83409 0.58529 0.33194 1.00000
V2 V 0.83402 0.08274 0.33205 1.00000
V3 V 0.50004 0.75232 0.99990 1.00000
V4 V 0.49996 0.24768 0.00010 1.00000
V5 V 0.16598 0.91726 0.66795 1.00000
V6 V 0.16591 0.41471 0.66806 1.00000
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