Ti6Nb3Mo
Alexandria ALEXAlex-ID: agm061986136 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C6_947_spg11
Nb8Mo Ti3Mo2 Ti
2024-10-22 03:25:48.657909
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm061986136).
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 agm061986136
data_agm061986136
_cell_length_a 4.53116
_cell_length_b 8.01913
_cell_length_c 9.83755
_cell_angle_alpha 73.95611
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 343.53460
_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 0.75000 0.95306 0.91291 1.00000
Ti2 Ti 0.25000 0.04694 0.08709 1.00000
Ti3 Ti 0.75000 0.64504 0.81686 1.00000
Ti4 Ti 0.25000 0.35496 0.18314 1.00000
Ti5 Ti 0.75000 0.17334 0.31086 1.00000
Ti6 Ti 0.25000 0.82666 0.68914 1.00000
Ti7 Ti 0.75000 0.73282 0.50938 1.00000
Ti8 Ti 0.25000 0.26718 0.49062 1.00000
Ti9 Ti 0.75000 0.35701 0.68914 1.00000
Ti10 Ti 0.25000 0.64299 0.31086 1.00000
Ti11 Ti 0.75000 0.56241 0.12423 1.00000
Ti12 Ti 0.25000 0.43759 0.87577 1.00000
Nb1 Nb 0.75000 0.04291 0.61098 1.00000
Nb2 Nb 0.25000 0.95709 0.38902 1.00000
Nb3 Nb 0.75000 0.87009 0.21890 1.00000
Nb4 Nb 0.25000 0.12991 0.78110 1.00000
Nb5 Nb 0.75000 0.26621 0.00402 1.00000
Nb6 Nb 0.25000 0.73379 0.99598 1.00000
Mo1 Mo 0.75000 0.45247 0.39827 1.00000
Mo2 Mo 0.25000 0.54753 0.60173 1.00000
