HoReTc2
Alexandria ALEXAlex-ID: agm005683329 · 空间群: I4_1/amd (#141)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_9009_spg74
HoRe2 Tc HoTc2
2023-07-13 17:00:32.669157
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005683329).
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 agm005683329
data_agm005683329
_cell_length_a 9.17412
_cell_length_b 9.17528
_cell_length_c 6.68179
_cell_angle_alpha 90.00027
_cell_angle_beta 89.99974
_cell_angle_gamma 137.39675
_cell_volume 380.72614
_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
Ho1 Ho 1.00000 0.25000 0.62480 1.00000
Ho2 Ho 0.50000 0.75000 0.12481 1.00000
Ho3 Ho 0.00000 0.75000 0.37520 1.00000
Ho4 Ho 0.50000 0.25000 0.87519 1.00000
Re1 Re 0.50000 0.75000 0.62503 1.00000
Re2 Re 0.50000 0.25000 0.37497 1.00000
Re3 Re 0.00000 0.25000 0.12473 1.00000
Re4 Re 1.00000 0.75000 0.87527 1.00000
Tc1 Tc 0.00000 0.00000 0.00000 1.00000
Tc2 Tc 0.50000 0.50000 0.50000 1.00000
Tc3 Tc 0.25021 0.75027 0.75022 1.00000
Tc4 Tc 0.74979 0.24973 0.24978 1.00000
Tc5 Tc 0.74979 0.74973 0.75022 1.00000
Tc6 Tc 0.25021 0.25027 0.24978 1.00000
Tc7 Tc 0.00000 0.50000 0.00000 1.00000
Tc8 Tc 0.50000 0.00000 0.50000 1.00000
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