Hf4Ti9In11
Alexandria ALEXAlex-ID: agm005716144 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
A4B9C11_10_spg65
TiIn Hf2In
2023-07-11 09:08:19.585923
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005716144).
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 agm005716144
data_agm005716144
_cell_length_a 2.99813
_cell_length_b 12.65643
_cell_length_c 12.65643
_cell_angle_alpha 90.82226
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 480.20727
_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 0.50000 0.55043 0.71872 1.00000
Hf2 Hf 0.50000 0.44957 0.28128 1.00000
Hf3 Hf 0.50000 0.71872 0.55043 1.00000
Hf4 Hf 0.50000 0.28128 0.44957 1.00000
Ti1 Ti 0.50000 0.62420 0.12909 1.00000
Ti2 Ti 0.50000 0.37580 0.87091 1.00000
Ti3 Ti 0.50000 0.12909 0.62420 1.00000
Ti4 Ti 0.50000 0.87091 0.37580 1.00000
Ti5 Ti 0.50000 0.79500 0.96857 1.00000
Ti6 Ti 0.50000 0.20500 0.03143 1.00000
Ti7 Ti 0.50000 0.96857 0.79500 1.00000
Ti8 Ti 0.50000 0.03143 0.20500 1.00000
Ti9 Ti 0.50000 0.50000 0.50000 1.00000
In1 In 0.00000 0.58910 0.92702 1.00000
In2 In 0.00000 0.41090 0.07298 1.00000
In3 In 0.00000 0.92702 0.58910 1.00000
In4 In 0.00000 0.07298 0.41090 1.00000
In5 In 0.00000 0.65291 0.34709 1.00000
In6 In 0.00000 0.34709 0.65291 1.00000
In7 In 0.00000 0.82683 0.17317 1.00000
In8 In 0.00000 0.17317 0.82683 1.00000
In9 In 0.00000 0.00000 0.00000 1.00000
In10 In 0.00000 0.76431 0.76431 1.00000
In11 In 0.00000 0.23569 0.23569 1.00000
