Ti6V8Bi
Alexandria ALEXAlex-ID: agm072900728 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C8_62_spg148
Ti3Bi Ti V
2024-10-08 09:54:45.345535
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072900728).
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 agm072900728
data_agm072900728
_cell_length_a 6.92473
_cell_length_b 6.92473
_cell_length_c 6.92473
_cell_angle_alpha 61.95734
_cell_angle_beta 61.95734
_cell_angle_gamma 61.95734
_cell_volume 245.08017
_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 0.37910 0.85393 0.61076 1.00000
Ti2 Ti 0.85393 0.61076 0.37910 1.00000
Ti3 Ti 0.61076 0.37910 0.85393 1.00000
Ti4 Ti 0.62090 0.14607 0.38924 1.00000
Ti5 Ti 0.14607 0.38924 0.62090 1.00000
Ti6 Ti 0.38924 0.62090 0.14607 1.00000
V1 V 0.74222 0.74222 0.74222 1.00000
V2 V 0.25778 0.25778 0.25778 1.00000
V3 V 0.90024 0.11514 0.59294 1.00000
V4 V 0.11514 0.59294 0.90024 1.00000
V5 V 0.59294 0.90024 0.11514 1.00000
V6 V 0.09976 0.88486 0.40706 1.00000
V7 V 0.88486 0.40706 0.09976 1.00000
V8 V 0.40706 0.09976 0.88486 1.00000
Bi1 Bi 0.00000 0.00000 0.00000 1.00000
获取直接链接