USb2(Te2Pt)3
Alexandria ALEXAlex-ID: agm071534982 · 空间群: P4_332 (#212)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D6_650_spg212
Te2Pt Sb2Pt UTe2
2025-03-07 09:14:03
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071534982).
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 agm071534982
data_agm071534982
_cell_length_a 11.12882
_cell_length_b 11.12882
_cell_length_c 11.12882
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1378.30960
_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 0.12500 0.12500 0.12500 1.00000
U2 U 0.37500 0.87500 0.62500 1.00000
U3 U 0.87500 0.62500 0.37500 1.00000
U4 U 0.62500 0.37500 0.87500 1.00000
Sb1 Sb 0.34487 0.34487 0.34487 1.00000
Sb2 Sb 0.15513 0.65513 0.84487 1.00000
Sb3 Sb 0.65513 0.84487 0.15513 1.00000
Sb4 Sb 0.84487 0.15513 0.65513 1.00000
Sb5 Sb 0.59487 0.09487 0.40513 1.00000
Sb6 Sb 0.90513 0.90513 0.90513 1.00000
Sb7 Sb 0.09487 0.40513 0.59487 1.00000
Sb8 Sb 0.40513 0.59487 0.09487 1.00000
Te1 Te 0.36533 0.60644 0.60619 1.00000
Te2 Te 0.13467 0.39356 0.10619 1.00000
Te3 Te 0.63467 0.10644 0.89381 1.00000
Te4 Te 0.86533 0.89356 0.39381 1.00000
Te5 Te 0.60619 0.36533 0.60644 1.00000
Te6 Te 0.10619 0.13467 0.39356 1.00000
Te7 Te 0.89381 0.63467 0.10644 1.00000
Te8 Te 0.39381 0.86533 0.89356 1.00000
Te9 Te 0.60644 0.60619 0.36533 1.00000
Te10 Te 0.39356 0.10619 0.13467 1.00000
Te11 Te 0.10644 0.89381 0.63467 1.00000
Te12 Te 0.89356 0.39381 0.86533 1.00000
Te13 Te 0.85644 0.11533 0.14381 1.00000
Te14 Te 0.64356 0.88467 0.64381 1.00000
Te15 Te 0.35644 0.38467 0.85619 1.00000
Te16 Te 0.14356 0.61533 0.35619 1.00000
Te17 Te 0.61533 0.35619 0.14356 1.00000
Te18 Te 0.38467 0.85619 0.35644 1.00000
Te19 Te 0.88467 0.64381 0.64356 1.00000
Te20 Te 0.11533 0.14381 0.85644 1.00000
Te21 Te 0.85619 0.35644 0.38467 1.00000
Te22 Te 0.35619 0.14356 0.61533 1.00000
Te23 Te 0.14381 0.85644 0.11533 1.00000
Te24 Te 0.64381 0.64356 0.88467 1.00000
Pt1 Pt 0.12500 0.64588 0.60412 1.00000
Pt2 Pt 0.37500 0.35412 0.10412 1.00000
Pt3 Pt 0.87500 0.14588 0.89588 1.00000
Pt4 Pt 0.62500 0.85412 0.39588 1.00000
Pt5 Pt 0.60412 0.12500 0.64588 1.00000
Pt6 Pt 0.10412 0.37500 0.35412 1.00000
Pt7 Pt 0.89588 0.87500 0.14588 1.00000
Pt8 Pt 0.39588 0.62500 0.85412 1.00000
Pt9 Pt 0.64588 0.60412 0.12500 1.00000
Pt10 Pt 0.35412 0.10412 0.37500 1.00000
Pt11 Pt 0.14588 0.89588 0.87500 1.00000
Pt12 Pt 0.85412 0.39588 0.62500 1.00000
