Hf3Ti3In2
Alexandria ALEXAlex-ID: agm003332016 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C3_1_spg12
Ti3In Hf3In
2022-01-26 21:56:18.618708
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003332016).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm003332016
data_agm003332016
_cell_length_a 4.21866
_cell_length_b 4.31100
_cell_length_c 9.45643
_cell_angle_alpha 103.18682
_cell_angle_beta 102.88869
_cell_angle_gamma 90.00000
_cell_volume 162.99234
_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 0.12046 0.62030 0.24092 1.00000
Hf2 Hf 0.87954 0.37970 0.75908 1.00000
Hf3 Hf 0.00000 0.00000 0.00000 1.00000
Ti1 Ti 0.61932 0.11910 0.23865 1.00000
Ti2 Ti 0.50000 0.50000 0.00000 1.00000
Ti3 Ti 0.38068 0.88090 0.76135 1.00000
In1 In 0.24990 0.24987 0.49980 1.00000
In2 In 0.75010 0.75013 0.50020 1.00000
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