Tb2TlI3
Alexandria ALEXAlex-ID: agm003428892 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_933_spg12
TbTl TbI3
2022-02-13 09:13:49.214865
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003428892).
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 agm003428892
data_agm003428892
_cell_length_a 4.14173
_cell_length_b 10.52069
_cell_length_c 11.06239
_cell_angle_alpha 82.36929
_cell_angle_beta 79.21065
_cell_angle_gamma 78.64792
_cell_volume 461.93640
_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
Tb1 Tb 0.87493 0.42172 0.82843 1.00000
Tb2 Tb 0.12507 0.57828 0.17157 1.00000
Tb3 Tb 0.60668 0.21656 0.57008 1.00000
Tb4 Tb 0.39332 0.78344 0.42992 1.00000
Tl1 Tl 0.42167 0.52781 0.62886 1.00000
Tl2 Tl 0.57833 0.47219 0.37114 1.00000
I1 I 0.04398 0.13047 0.78157 1.00000
I2 I 0.95602 0.86953 0.21843 1.00000
I3 I 0.68027 0.67735 0.96211 1.00000
I4 I 0.31973 0.32265 0.03789 1.00000
I5 I 0.75528 0.87609 0.61335 1.00000
I6 I 0.24472 0.12391 0.38665 1.00000
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