Re6TcB2
Alexandria ALEXAlex-ID: agm005693709 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_1823_spg12
Re3B Re2TcB Re
2023-07-06 11:33:40.015224
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005693709).
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
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# CIF generated by HEAS from Alexandria entry agm005693709
data_agm005693709
_cell_length_a 4.45422
_cell_length_b 5.39559
_cell_length_c 5.39559
_cell_angle_alpha 113.02360
_cell_angle_beta 88.49558
_cell_angle_gamma 88.49560
_cell_volume 119.20856
_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
Re1 Re 0.24988 0.86794 0.94960 1.00000
Re2 Re 0.75012 0.55040 0.63206 1.00000
Re3 Re 0.75012 0.13206 0.05040 1.00000
Re4 Re 0.24988 0.44960 0.36794 1.00000
Re5 Re 0.26215 0.36623 0.86623 1.00000
Re6 Re 0.73785 0.63377 0.13377 1.00000
Tc1 Tc 0.00000 0.00000 0.50000 1.00000
B1 B 0.50000 0.90308 0.59692 1.00000
B2 B 0.50000 0.09692 0.40308 1.00000
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