Ti8Nb2V
Alexandria ALEXAlex-ID: agm044194407 · 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
AB2C8_1435_spg12
NbV2 Ti TiNb7
2024-10-22 05:15:34.920040
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044194407).
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}
}
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# CIF generated by HEAS from Alexandria entry agm044194407
data_agm044194407
_cell_length_a 8.91683
_cell_length_b 8.91683
_cell_length_c 7.15452
_cell_angle_alpha 71.73345
_cell_angle_beta 71.73345
_cell_angle_gamma 20.35319
_cell_volume 187.55122
_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 0.36941 0.36941 0.20265 1.00000
Ti2 Ti 0.91301 0.91301 0.48500 1.00000
Ti3 Ti 0.17984 0.17984 0.07159 1.00000
Ti4 Ti 0.82016 0.82016 0.92841 1.00000
Ti5 Ti 0.08699 0.08699 0.51500 1.00000
Ti6 Ti 0.63059 0.63059 0.79735 1.00000
Ti7 Ti 0.72709 0.72709 0.35654 1.00000
Ti8 Ti 0.27291 0.27291 0.64346 1.00000
Nb1 Nb 0.54117 0.54117 0.24430 1.00000
Nb2 Nb 0.45883 0.45883 0.75570 1.00000
V1 V 0.00000 0.00000 0.00000 1.00000
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