Ti4Nb3Mo4
Alexandria ALEXAlex-ID: agm005703013 · 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
Ti2NbMo2 Nb8Mo Ti3Mo2
2023-07-02 02:07:41.048851
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005703013).
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 agm005703013
data_agm005703013
_cell_length_a 2.85417
_cell_length_b 4.47692
_cell_length_c 14.66848
_cell_angle_alpha 81.23158
_cell_angle_beta 82.74832
_cell_angle_gamma 89.97846
_cell_volume 183.72542
_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 0.50263 0.90878 0.18259 1.00000
Ti2 Ti 0.67832 0.72782 0.54466 1.00000
Ti3 Ti 0.32167 0.27221 0.45533 1.00000
Ti4 Ti 0.49734 0.09125 0.81742 1.00000
Nb1 Nb 0.83975 0.36289 0.27460 1.00000
Nb2 Nb 0.16022 0.63714 0.72540 1.00000
Nb3 Nb 0.99998 0.00001 0.00001 1.00000
Mo1 Mo 0.26446 0.45440 0.09128 1.00000
Mo2 Mo 0.73551 0.54562 0.90873 1.00000
Mo3 Mo 0.93061 0.18187 0.63533 1.00000
Mo4 Mo 0.06938 0.81816 0.36467 1.00000
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