Ti2AlGaFe4
Alexandria ALEXAlex-ID: agm047414987 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_43_spg5
Ti2AlGaFe4
2025-06-30 17:54:50
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm047414987).
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 agm047414987
data_agm047414987
_cell_length_a 7.13699
_cell_length_b 7.13699
_cell_length_c 7.13699
_cell_angle_alpha 33.55460
_cell_angle_beta 33.55460
_cell_angle_gamma 33.55460
_cell_volume 98.92679
_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 0.24984 0.24984 0.24984 1.00000
Ti2 Ti 0.75016 0.75016 0.75016 1.00000
Al1 Al 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 0.50000 0.50000 0.50000 1.00000
Fe1 Fe 0.62544 0.62544 0.62544 1.00000
Fe2 Fe 0.12457 0.12457 0.12457 1.00000
Fe3 Fe 0.87543 0.87543 0.87543 1.00000
Fe4 Fe 0.37456 0.37456 0.37456 1.00000
