Ti2V5Mo4
Alexandria ALEXAlex-ID: agm005676259 · 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
A2B4C5_290_spg12
V5Mo V3Mo2 Ti3Mo2
2023-06-22 16:41:11.488791
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005676259).
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 agm005676259
data_agm005676259
_cell_length_a 3.10405
_cell_length_b 7.05150
_cell_length_c 7.93804
_cell_angle_alpha 106.47121
_cell_angle_beta 78.77419
_cell_angle_gamma 89.78415
_cell_volume 163.11011
_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
Ti1 Ti 0.40932 0.45740 0.18179 1.00000
Ti2 Ti 0.59068 0.54260 0.81821 1.00000
V1 V 0.68240 0.08884 0.63673 1.00000
V2 V 0.31760 0.91116 0.36327 1.00000
V3 V 0.76601 0.64514 0.46798 1.00000
V4 V 0.50000 0.00000 0.00000 1.00000
V5 V 0.23399 0.35486 0.53202 1.00000
Mo1 Mo 0.86096 0.18516 0.27955 1.00000
Mo2 Mo 0.05206 0.26078 0.89739 1.00000
Mo3 Mo 0.13904 0.81484 0.72045 1.00000
Mo4 Mo 0.94794 0.73922 0.10261 1.00000
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