FeReTc4
Alexandria ALEXAlex-ID: agm005753593 · 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
ABC4_1218_spg15
ReTc3 Fe7Re6 Tc
2023-07-28 06:35:36.433735
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005753593).
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 agm005753593
data_agm005753593
_cell_length_a 4.73399
_cell_length_b 6.85894
_cell_length_c 6.57266
_cell_angle_alpha 58.54839
_cell_angle_beta 80.05591
_cell_angle_gamma 70.67301
_cell_volume 171.80058
_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
Fe1 Fe 0.25000 0.00358 0.99284 1.00000
Fe2 Fe 0.75000 0.99642 0.00716 1.00000
Re1 Re 0.75000 0.41714 0.16571 1.00000
Re2 Re 0.25000 0.58286 0.83429 1.00000
Tc1 Tc 0.87542 0.40998 0.75512 1.00000
Tc2 Tc 0.04457 0.08998 0.61626 1.00000
Tc3 Tc 0.62458 0.83490 0.75512 1.00000
Tc4 Tc 0.45543 0.29376 0.61626 1.00000
Tc5 Tc 0.54457 0.70624 0.38374 1.00000
Tc6 Tc 0.37542 0.16510 0.24488 1.00000
Tc7 Tc 0.95543 0.91002 0.38374 1.00000
Tc8 Tc 0.12458 0.59002 0.24488 1.00000
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