Re6TcRu2
Alexandria ALEXAlex-ID: agm005692050 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_2180_spg15
Re2Tc5Ru ReTc Re3Ru
2023-07-12 23:01:14.494979
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005692050).
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 agm005692050
data_agm005692050
_cell_length_a 9.13606
_cell_length_b 7.20411
_cell_length_c 7.20411
_cell_angle_alpha 53.99732
_cell_angle_beta 129.34728
_cell_angle_gamma 129.34728
_cell_volume 269.51387
_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 0.37138 0.25905 0.53622 1.00000
Re2 Re 0.12862 0.46378 0.74095 1.00000
Re3 Re 0.62862 0.74095 0.46378 1.00000
Re4 Re 0.87138 0.53622 0.25905 1.00000
Re5 Re 0.01836 0.14763 0.57241 1.00000
Re6 Re 0.48164 0.42759 0.85237 1.00000
Re7 Re 0.98164 0.85237 0.42759 1.00000
Re8 Re 0.51836 0.57241 0.14763 1.00000
Re9 Re 0.20043 0.05898 0.14432 1.00000
Re10 Re 0.29957 0.85568 0.94102 1.00000
Re11 Re 0.79957 0.94102 0.85568 1.00000
Re12 Re 0.70043 0.14432 0.05898 1.00000
Tc1 Tc 0.25000 0.63502 0.36498 1.00000
Tc2 Tc 0.75000 0.36498 0.63502 1.00000
Ru1 Ru 0.06786 0.33011 0.11225 1.00000
Ru2 Ru 0.43214 0.88775 0.66989 1.00000
Ru3 Ru 0.93214 0.66989 0.88775 1.00000
Ru4 Ru 0.56786 0.11225 0.33011 1.00000
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