Ti6Zn2Ga
Alexandria ALEXAlex-ID: agm005754286 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_636_spg71
Ti3Zn2 Ti3Ga
2023-07-09 19:35:31.158142
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754286).
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 agm005754286
data_agm005754286
_cell_length_a 2.70099
_cell_length_b 8.12385
_cell_length_c 8.12373
_cell_angle_alpha 57.56222
_cell_angle_beta 80.43069
_cell_angle_gamma 80.43083
_cell_volume 147.71113
_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 0.16893 0.51251 0.14963 1.00000
Ti2 Ti 0.83107 0.48749 0.85037 1.00000
Ti3 Ti 0.83109 0.85037 0.48746 1.00000
Ti4 Ti 0.99999 0.17539 0.82463 1.00000
Ti5 Ti 0.00001 0.82461 0.17537 1.00000
Ti6 Ti 0.16891 0.14963 0.51254 1.00000
Zn1 Zn 0.34664 0.15335 0.15338 1.00000
Zn2 Zn 0.65336 0.84665 0.84662 1.00000
Ga1 Ga 0.50000 0.50000 0.50000 1.00000
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