V7Mo5
Alexandria ALEXAlex-ID: agm040676301 · 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
A5B7_635_spg12
V4Mo3 V3Mo2
2025-01-16 20:12:12
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040676301).
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 agm040676301
data_agm040676301
_cell_length_a 6.92577
_cell_length_b 6.92577
_cell_length_c 7.54756
_cell_angle_alpha 56.47811
_cell_angle_beta 123.52189
_cell_angle_gamma 144.06808
_cell_volume 172.97738
_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 0.50000 0.50000 0.50000 1.00000
V2 V 0.58182 0.41818 0.24615 1.00000
V3 V 0.66819 0.33181 0.99940 1.00000
V4 V 0.33181 0.66819 0.00060 1.00000
V5 V 0.41818 0.58182 0.75385 1.00000
V6 V 0.16812 0.83188 0.50260 1.00000
V7 V 0.83188 0.16812 0.49740 1.00000
Mo1 Mo 0.08207 0.91793 0.74914 1.00000
Mo2 Mo 0.74864 0.25136 0.74347 1.00000
Mo3 Mo 0.25136 0.74864 0.25653 1.00000
Mo4 Mo 0.91793 0.08207 0.25086 1.00000
Mo5 Mo 0.00000 0.00000 0.00000 1.00000
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