U(NbTe2)4
Alexandria ALEXAlex-ID: agm006088099 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_206_spg166
NbTe2 Nb3Te4 UTe2
2023-08-30 15:31:14.412490
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006088099).
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}
}
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# CIF generated by HEAS from Alexandria entry agm006088099
data_agm006088099
_cell_length_a 7.68293
_cell_length_b 7.68293
_cell_length_c 8.50528
_cell_angle_alpha 89.99985
_cell_angle_beta 116.85020
_cell_angle_gamma 119.99994
_cell_volume 370.97214
_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 0.50000 0.50000 1.00000
Nb1 Nb 0.00000 0.00000 0.00000 1.00000
Nb2 Nb 0.00000 0.50000 1.00000 1.00000
Nb3 Nb 0.50000 0.50000 0.00000 1.00000
Nb4 Nb 0.50000 0.00000 0.00000 1.00000
Te1 Te 0.49591 0.74795 0.24386 1.00000
Te2 Te 0.50409 0.25205 0.75614 1.00000
Te3 Te 0.48246 0.24123 0.24456 1.00000
Te4 Te 0.99667 0.23790 0.75544 1.00000
Te5 Te 0.51754 0.75877 0.75544 1.00000
Te6 Te 0.99667 0.75877 0.75544 1.00000
Te7 Te 0.00333 0.24123 0.24456 1.00000
Te8 Te 0.00333 0.76210 0.24456 1.00000
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