UMn2(TlTe2)2
Alexandria ALEXAlex-ID: agm004564232 · 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
AB2C2D4_0_spg12
UTl2Te3 MnTe2 Mn
2022-06-19 17:23:27.826798
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004564232).
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 agm004564232
data_agm004564232
_cell_length_a 4.29587
_cell_length_b 8.59371
_cell_length_c 8.21422
_cell_angle_alpha 106.89518
_cell_angle_beta 105.15846
_cell_angle_gamma 90.00000
_cell_volume 279.11381
_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
U1 U 0.00000 0.00000 0.00000 1.00000
Mn1 Mn 0.67277 0.97820 0.34554 1.00000
Mn2 Mn 0.32723 0.02180 0.65446 1.00000
Tl1 Tl 0.13378 0.57838 0.26757 1.00000
Tl2 Tl 0.86622 0.42162 0.73243 1.00000
Te1 Te 0.20061 0.18563 0.40121 1.00000
Te2 Te 0.79939 0.81437 0.59879 1.00000
Te3 Te 0.51397 0.74898 0.02795 1.00000
Te4 Te 0.48603 0.25102 0.97205 1.00000
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