Re2TePt2
Alexandria ALEXAlex-ID: agm005408420 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_106_spg139
TePt Re3Pt RePt3
2023-03-17 21:50:09.311139
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005408420).
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 agm005408420
data_agm005408420
_cell_length_a 7.31669
_cell_length_b 7.31669
_cell_length_c 7.31669
_cell_angle_alpha 151.07698
_cell_angle_beta 151.07698
_cell_angle_gamma 41.36277
_cell_volume 91.41452
_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 0.25000 0.75000 0.50000 1.00000
Re2 Re 0.75000 0.25000 0.50000 1.00000
Te1 Te 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 0.60244 0.60244 0.00000 1.00000
Pt2 Pt 0.39756 0.39756 0.00000 1.00000
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