Li2UTe3
Alexandria ALEXAlex-ID: agm005691001 · 空间群: Fddd (#70)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_36_spg70
Li2Te UTe2
2023-08-22 08:35:58.370570
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005691001).
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 agm005691001
data_agm005691001
_cell_length_a 7.44892
_cell_length_b 7.44892
_cell_length_c 13.66876
_cell_angle_alpha 100.36253
_cell_angle_beta 100.36253
_cell_angle_gamma 109.86810
_cell_volume 677.42546
_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
Li1 Li 0.00430 0.50430 0.00859 1.00000
Li2 Li 0.41462 0.41462 0.82923 1.00000
Li3 Li 0.83538 0.33538 0.67077 1.00000
Li4 Li 0.24571 0.24571 0.49141 1.00000
Li5 Li 0.75429 0.75429 0.50859 1.00000
Li6 Li 0.66462 0.16462 0.32923 1.00000
Li7 Li 0.58538 0.58538 0.17077 1.00000
Li8 Li 0.49570 0.99570 0.99141 1.00000
U1 U 0.91693 0.91693 0.83385 1.00000
U2 U 0.33307 0.83307 0.66615 1.00000
U3 U 0.16693 0.66693 0.33385 1.00000
U4 U 0.08307 0.08307 0.16615 1.00000
Te1 Te 0.16353 0.66382 0.83215 1.00000
Te2 Te 0.66862 0.16833 0.83215 1.00000
Te3 Te 0.08647 0.08618 0.66785 1.00000
Te4 Te 0.58138 0.58167 0.66785 1.00000
Te5 Te 0.99773 0.49773 0.50000 1.00000
Te6 Te 0.50227 0.00227 0.50000 1.00000
Te7 Te 0.41833 0.41862 0.33215 1.00000
Te8 Te 0.91382 0.91353 0.33215 1.00000
Te9 Te 0.83167 0.33138 0.16785 1.00000
Te10 Te 0.33618 0.83647 0.16785 1.00000
Te11 Te 0.25227 0.25227 1.00000 1.00000
Te12 Te 0.74773 0.74773 0.00000 1.00000
