Tb2I2Br
Alexandria ALEXAlex-ID: agm005877205 · 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
AB2C2_141_spg12
TbI3 Tb TbBr3
2023-08-03 11:07:55.430866
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005877205).
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 agm005877205
data_agm005877205
_cell_length_a 4.03945
_cell_length_b 8.75752
_cell_length_c 11.49637
_cell_angle_alpha 99.48733
_cell_angle_beta 100.11846
_cell_angle_gamma 90.00001
_cell_volume 394.71341
_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 0.18549 0.91869 0.37098 1.00000
Tb2 Tb 0.81451 0.08131 0.62902 1.00000
Tb3 Tb 0.31321 0.70319 0.62642 1.00000
Tb4 Tb 0.68679 0.29681 0.37358 1.00000
I1 I 0.09005 0.16481 0.18009 1.00000
I2 I 0.90995 0.83519 0.81991 1.00000
I3 I 0.41054 0.22868 0.82109 1.00000
I4 I 0.58946 0.77132 0.17891 1.00000
Br1 Br 0.18935 0.55177 0.37869 1.00000
Br2 Br 0.81065 0.44823 0.62131 1.00000
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