Tb2Hf3Pt4
Alexandria ALEXAlex-ID: agm005678089 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_763_spg14
TbHfPt HfPt TbPt
2023-06-29 02:47:24.436632
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005678089).
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 agm005678089
data_agm005678089
_cell_length_a 7.88886
_cell_length_b 7.13881
_cell_length_c 7.25964
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 110.79942
_cell_volume 382.19768
_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
Tb1 Tb 0.58617 0.19472 0.32962 1.00000
Tb2 Tb 0.91383 0.80528 0.82962 1.00000
Tb3 Tb 0.41383 0.80528 0.67038 1.00000
Tb4 Tb 0.08617 0.19472 0.17038 1.00000
Hf1 Hf 0.00000 0.50000 0.50000 1.00000
Hf2 Hf 0.50000 0.50000 0.00000 1.00000
Hf3 Hf 0.75173 0.24904 0.85103 1.00000
Hf4 Hf 0.74827 0.75096 0.35103 1.00000
Hf5 Hf 0.24827 0.75096 0.14897 1.00000
Hf6 Hf 0.25173 0.24904 0.64897 1.00000
Pt1 Pt 0.87742 0.09937 0.55365 1.00000
Pt2 Pt 0.62258 0.90063 0.05365 1.00000
Pt3 Pt 0.12258 0.90063 0.44635 1.00000
Pt4 Pt 0.37742 0.09937 0.94635 1.00000
Pt5 Pt 0.88081 0.51351 0.14325 1.00000
Pt6 Pt 0.61919 0.48649 0.64325 1.00000
Pt7 Pt 0.11919 0.48649 0.85675 1.00000
Pt8 Pt 0.38081 0.51351 0.35675 1.00000
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