Ti6AgBi
Alexandria ALEXAlex-ID: agm005804902 · 空间群: Amm2 (#38)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_41_spg38
Ti2Ag Ti3Bi Ti
2023-07-25 05:47:20.857937
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005804902).
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 agm005804902
data_agm005804902
_cell_length_a 4.77907
_cell_length_b 5.77374
_cell_length_c 5.77374
_cell_angle_alpha 114.84475
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 144.57085
_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 0.00000 0.11220 0.43489 1.00000
Ti2 Ti 0.00000 0.56511 0.88780 1.00000
Ti3 Ti 0.00000 0.62667 0.37333 1.00000
Ti4 Ti 0.50000 0.39564 0.07689 1.00000
Ti5 Ti 0.50000 0.92311 0.60436 1.00000
Ti6 Ti 0.50000 0.87853 0.12147 1.00000
Ag1 Ag 0.50000 0.42237 0.57763 1.00000
Bi1 Bi 0.00000 0.07605 0.92395 1.00000
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