Al2V4Mo3
Alexandria ALEXAlex-ID: agm005684612 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_692_spg2
AlV3 Al2(VMo)3 V3Mo2
2023-06-26 17:34:37.900677
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005684612).
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 agm005684612
data_agm005684612
_cell_length_a 7.03099
_cell_length_b 7.04384
_cell_length_c 6.89790
_cell_angle_alpha 75.85868
_cell_angle_beta 103.42105
_cell_angle_gamma 123.85144
_cell_volume 273.14992
_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
Al1 Al 0.53899 0.23287 0.36913 1.00000
Al2 Al 0.91992 0.83402 0.88127 1.00000
Al3 Al 0.46102 0.76713 0.63082 1.00000
Al4 Al 0.08008 0.16598 0.11871 1.00000
V1 V 0.84001 0.05540 0.43692 1.00000
V2 V 0.61071 0.90092 0.09523 1.00000
V3 V 0.16006 0.94465 0.56310 1.00000
V4 V 0.38928 0.09910 0.90481 1.00000
V5 V 0.84336 0.39223 0.10378 1.00000
V6 V 0.66138 0.49316 0.66839 1.00000
V7 V 0.15667 0.60780 0.89621 1.00000
V8 V 0.33858 0.50678 0.33161 1.00000
Mo1 Mo 1.00000 0.50000 0.50000 1.00000
Mo2 Mo 0.50000 0.50001 0.99999 1.00000
Mo3 Mo 0.75283 0.16759 0.78182 1.00000
Mo4 Mo 0.81577 0.70991 0.29451 1.00000
Mo5 Mo 0.24714 0.83239 0.21818 1.00000
Mo6 Mo 0.18423 0.29008 0.70551 1.00000
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