Hf(Ti3Sb2)2
Alexandria ALEXAlex-ID: agm003661334 · 空间群: I-42m (#121)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C6_181_spg121
HfTiSb Ti5Sb3
2022-04-08 13:40:37.767306
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003661334).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm003661334
data_agm003661334
_cell_length_a 7.21768
_cell_length_b 7.21768
_cell_length_c 7.21768
_cell_angle_alpha 82.67943
_cell_angle_beta 124.31278
_cell_angle_gamma 124.31278
_cell_volume 246.33505
_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
Hf1 Hf 0.00000 0.00000 0.00000 1.00000
Ti1 Ti 0.00000 0.76265 0.44435 1.00000
Ti2 Ti 0.00000 0.44435 0.76265 1.00000
Ti3 Ti 0.68170 0.23735 0.23735 1.00000
Ti4 Ti 0.50000 0.00000 0.50000 1.00000
Ti5 Ti 0.31830 0.55565 0.55565 1.00000
Ti6 Ti 0.50000 0.50000 0.00000 1.00000
Sb1 Sb 0.00000 0.10760 0.59911 1.00000
Sb2 Sb 0.50849 0.40089 0.40089 1.00000
Sb3 Sb 0.00000 0.59911 0.10760 1.00000
Sb4 Sb 0.49151 0.89240 0.89240 1.00000
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