Ti2Re3
Alexandria ALEXAlex-ID: agm010134841 · 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
A2B3_3734_spg71
Ti2Re3
2024-05-05 21:42:30.041750
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010134841).
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 agm010134841
data_agm010134841
_cell_length_a 5.21305
_cell_length_b 5.21305
_cell_length_c 5.21305
_cell_angle_alpha 49.68765
_cell_angle_beta 49.68765
_cell_angle_gamma 49.68765
_cell_volume 75.75228
_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 0.89655 0.89655 0.89655 1.00000
Ti2 Ti 0.10345 0.10345 0.10345 1.00000
Re1 Re 0.30375 0.30375 0.30375 1.00000
Re2 Re 0.69625 0.69625 0.69625 1.00000
Re3 Re 0.50000 0.50000 0.50000 1.00000
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