Tb6Tl3SeS2
Alexandria ALEXAlex-ID: agm004635657 · 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
AB2C3D6_221_spg12
Tb5Tl3S Tb2SeS TbTl3 Tb2TlS
2022-06-29 22:10:51.626750
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004635657).
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 agm004635657
data_agm004635657
_cell_length_a 6.74421
_cell_length_b 6.74421
_cell_length_c 8.25519
_cell_angle_alpha 97.77131
_cell_angle_beta 97.77131
_cell_angle_gamma 119.91631
_cell_volume 313.35451
_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 0.93101 0.58942 0.79097 1.00000
Tb2 Tb 0.72515 0.72515 0.20527 1.00000
Tb3 Tb 0.06899 0.41058 0.20903 1.00000
Tb4 Tb 0.58942 0.93101 0.79097 1.00000
Tb5 Tb 0.27485 0.27485 0.79473 1.00000
Tb6 Tb 0.41058 0.06899 0.20903 1.00000
Tl1 Tl 0.16051 0.83949 0.50000 1.00000
Tl2 Tl 0.83949 0.16051 0.50000 1.00000
Tl3 Tl 0.50000 0.50000 0.50000 1.00000
Se1 Se 0.00000 0.00000 0.00000 1.00000
S1 S 0.33237 0.66763 0.00000 1.00000
S2 S 0.66763 0.33237 0.00000 1.00000
获取直接链接