Ti2AgI8
Alexandria ALEXAlex-ID: agm005994702 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_2337_spg1
TiI4 Ag
2023-10-02 01:37:12
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005994702).
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 agm005994702
data_agm005994702
_cell_length_a 9.09012
_cell_length_b 8.55583
_cell_length_c 10.19947
_cell_angle_alpha 132.13877
_cell_angle_beta 99.61975
_cell_angle_gamma 81.63764
_cell_volume 579.33767
_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
Ti1 Ti 0.21240 0.42935 0.73726 1.00000
Ti2 Ti 0.80538 0.56823 0.23261 1.00000
Ag1 Ag 0.93311 0.00509 0.17966 1.00000
I1 I 0.61561 0.73963 0.46087 1.00000
I2 I 0.40842 0.36152 0.54744 1.00000
I3 I 0.73181 0.68802 0.04936 1.00000
I4 I 0.94567 0.33685 0.55728 1.00000
I5 I 0.20996 0.83547 0.02312 1.00000
I6 I 0.27466 0.22228 0.84034 1.00000
I7 I 0.07704 0.65659 0.36746 1.00000
I8 I 0.78593 0.15698 0.00450 1.00000
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