Hf(Te2I3)2
Alexandria ALEXAlex-ID: agm002244516 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C6_52_spg2
Te2I HfI4
2018-07-16 17:32:07
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002244516).
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 agm002244516
data_agm002244516
_cell_length_a 7.96311
_cell_length_b 8.50808
_cell_length_c 7.90839
_cell_angle_alpha 86.41753
_cell_angle_beta 95.90914
_cell_angle_gamma 76.52467
_cell_volume 516.20521
_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
I1 I 0.04402 0.28627 0.81303 1.00000
I2 I 0.95598 0.71373 0.18697 1.00000
I3 I 0.15565 0.09432 0.30111 1.00000
I4 I 0.84435 0.90568 0.69889 1.00000
I5 I 0.65928 0.16694 0.06741 1.00000
I6 I 0.34072 0.83306 0.93259 1.00000
Te1 Te 0.36617 0.48212 0.28652 1.00000
Te2 Te 0.63383 0.51788 0.71348 1.00000
Te3 Te 0.69763 0.33596 0.44177 1.00000
Te4 Te 0.30237 0.66404 0.55823 1.00000
Hf1 Hf 0.00000 0.00000 0.00000 1.00000
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