Tb2Se3
Alexandria ALEXAlex-ID: agm003246724 · 空间群: I-42d (#122)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3_32_spg122
Tb2Se3
2022-01-03 04:26:50.635222
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003246724).
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 agm003246724
data_agm003246724
_cell_length_a 14.46135
_cell_length_b 14.46135
_cell_length_c 14.46135
_cell_angle_alpha 144.90405
_cell_angle_beta 144.90405
_cell_angle_gamma 50.47754
_cell_volume 994.71997
_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 0.20142 0.32655 0.60649 1.00000
Tb2 Tb 0.41604 0.91604 0.50000 1.00000
Tb3 Tb 0.99246 0.62500 0.86746 1.00000
Tb4 Tb 0.33396 0.33396 0.00000 1.00000
Tb5 Tb 0.02994 0.92345 0.37486 1.00000
Tb6 Tb 0.75754 0.12500 0.13254 1.00000
Tb7 Tb 0.54858 0.65507 0.62514 1.00000
Tb8 Tb 0.34493 0.97006 0.89351 1.00000
Tb9 Tb 0.66604 0.66604 0.00000 1.00000
Tb10 Tb 0.37500 0.24246 0.36746 1.00000
Tb11 Tb 0.07655 0.45142 0.10649 1.00000
Tb12 Tb 0.87500 0.00754 0.63254 1.00000
Tb13 Tb 0.08396 0.58396 0.50000 1.00000
Tb14 Tb 0.67345 0.27994 0.87486 1.00000
Tb15 Tb 0.72006 0.59493 0.39351 1.00000
Tb16 Tb 0.40507 0.79858 0.12514 1.00000
Se1 Se 0.71335 0.82400 0.74721 1.00000
Se2 Se 0.36607 0.61190 0.11019 1.00000
Se3 Se 0.50171 0.25588 0.88981 1.00000
Se4 Se 0.24829 0.63810 0.25417 1.00000
Se5 Se 0.38393 0.99412 0.74583 1.00000
Se6 Se 0.07679 0.96614 0.25279 1.00000
Se7 Se 0.03665 0.28386 0.61065 1.00000
Se8 Se 0.05733 0.15394 0.74470 1.00000
Se9 Se 0.68737 0.94267 0.09661 1.00000
Se10 Se 0.67321 0.42600 0.38935 1.00000
Se11 Se 0.57400 0.96335 0.24721 1.00000
Se12 Se 0.84606 0.59077 0.90339 1.00000
Se13 Se 0.71614 0.32679 0.75279 1.00000
Se14 Se 0.40923 0.31263 0.25530 1.00000
Se15 Se 0.36190 0.61607 0.61019 1.00000
Se16 Se 0.38810 0.49829 0.75417 1.00000
Se17 Se 0.03386 0.28665 0.11065 1.00000
Se18 Se 0.00588 0.75171 0.38981 1.00000
Se19 Se 0.17600 0.92321 0.88935 1.00000
Se20 Se 0.90394 0.30733 0.24470 1.00000
Se21 Se 0.06263 0.65923 0.75530 1.00000
Se22 Se 0.74412 0.63393 0.24583 1.00000
Se23 Se 0.69267 0.93737 0.59661 1.00000
Se24 Se 0.34077 0.09606 0.40339 1.00000
