Ti3Te2
Alexandria ALEXAlex-ID: agm002190815 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3_34_spg139
Ti5Te4 Ti
2023-03-27 05:16:52.736289
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002190815).
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}
}
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# CIF generated by HEAS from Alexandria entry agm002190815
data_agm002190815
_cell_length_a 3.52857
_cell_length_b 3.52857
_cell_length_c 9.46161
_cell_angle_alpha 100.74661
_cell_angle_beta 100.74661
_cell_angle_gamma 90.00138
_cell_volume 113.63468
_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
Te1 Te 0.84373 0.84373 0.68757 1.00000
Te2 Te 0.15627 0.15627 0.31243 1.00000
Ti1 Ti 0.41649 0.41649 0.83306 1.00000
Ti2 Ti 0.58351 0.58351 0.16694 1.00000
Ti3 Ti 0.00000 0.00000 0.00000 1.00000
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