Ti2V2Mo5
Alexandria ALEXAlex-ID: agm005567973 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_907_spg1
V3Mo2 Ti2Mo3 TiMo2
2023-06-03 11:50:21.871191
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005567973).
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 agm005567973
data_agm005567973
_cell_length_a 5.19004
_cell_length_b 8.76136
_cell_length_c 9.31147
_cell_angle_alpha 135.66593
_cell_angle_beta 105.15122
_cell_angle_gamma 89.14173
_cell_volume 276.17218
_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 0.98348 0.77377 0.82579 1.00000
Ti2 Ti 0.53749 0.43891 0.05182 1.00000
Ti3 Ti 0.09675 0.11053 0.27945 1.00000
Ti4 Ti 0.66331 0.77823 0.50497 1.00000
V1 V 0.67024 0.28385 0.50523 1.00000
V2 V 0.22977 0.95154 0.72362 1.00000
V3 V 0.09996 0.61493 0.27839 1.00000
V4 V 0.77315 0.61395 0.94905 1.00000
Mo1 Mo 0.98015 0.27635 0.83171 1.00000
Mo2 Mo 0.32381 0.77749 0.16651 1.00000
Mo3 Mo 0.77297 0.11396 0.94783 1.00000
Mo4 Mo 0.54233 0.94332 0.05400 1.00000
Mo5 Mo 0.32271 0.27748 0.16682 1.00000
Mo6 Mo 0.21722 0.44280 0.72546 1.00000
Mo7 Mo 0.87952 0.44572 0.38730 1.00000
Mo8 Mo 0.42688 0.60739 0.60959 1.00000
Mo9 Mo 0.87649 0.93758 0.38447 1.00000
Mo10 Mo 0.43178 0.11219 0.60799 1.00000
获取直接链接