MnV3Co7
Alexandria ALEXAlex-ID: agm003583000 · 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
AB3C7_117_spg12
VCo3 MnV Mn
2022-04-07 14:45:50.073632
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003583000).
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 agm003583000
data_agm003583000
_cell_length_a 4.49511
_cell_length_b 6.23812
_cell_length_c 6.23812
_cell_angle_alpha 84.53634
_cell_angle_beta 117.80953
_cell_angle_gamma 117.80953
_cell_volume 135.16398
_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
Mn1 Mn 0.50000 0.50000 0.50000 1.00000
V1 V 0.00000 0.76995 0.23005 1.00000
V2 V 0.50000 0.00000 0.00000 1.00000
V3 V 0.00000 0.23005 0.76995 1.00000
Co1 Co 0.29411 0.18718 0.18718 1.00000
Co2 Co 0.32226 0.04435 0.59532 1.00000
Co3 Co 0.67774 0.40468 0.95565 1.00000
Co4 Co 0.32226 0.59532 0.04435 1.00000
Co5 Co 0.00000 0.50000 0.50000 1.00000
Co6 Co 0.67774 0.95565 0.40468 1.00000
Co7 Co 0.70589 0.81282 0.81282 1.00000
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