Ti4V3Mo4
Alexandria ALEXAlex-ID: agm005703059 · 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
A3B4C4_25_spg71
V5Mo V3Mo2 Ti3Mo2
2023-07-02 02:16:16.577986
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005703059).
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 agm005703059
data_agm005703059
_cell_length_a 2.79136
_cell_length_b 4.32609
_cell_length_c 14.24013
_cell_angle_alpha 98.72550
_cell_angle_beta 94.03231
_cell_angle_gamma 90.02628
_cell_volume 169.53733
_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 0.69295 0.08987 0.18003 1.00000
Ti2 Ti 0.22650 0.27464 0.54920 1.00000
Ti3 Ti 0.77345 0.72539 0.45081 1.00000
Ti4 Ti 0.30703 0.91016 0.81996 1.00000
V1 V 0.12459 0.63583 0.27191 1.00000
V2 V 0.87538 0.36420 0.72810 1.00000
V3 V 0.00000 0.00001 1.00000 1.00000
Mo1 Mo 0.35287 0.54534 0.09033 1.00000
Mo2 Mo 0.64712 0.45469 0.90967 1.00000
Mo3 Mo 0.56857 0.82060 0.64093 1.00000
Mo4 Mo 0.43139 0.17943 0.35907 1.00000
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