UTl2(Te2Pd)2
Alexandria ALEXAlex-ID: agm004560331 · 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
UTlPd6 Tl2Te UTlTe3Pd Te2Pd3
2022-06-19 19:37:42.956733
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004560331).
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
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# CIF generated by HEAS from Alexandria entry agm004560331
data_agm004560331
_cell_length_a 4.25010
_cell_length_b 8.56863
_cell_length_c 7.98640
_cell_angle_alpha 107.52325
_cell_angle_beta 105.43137
_cell_angle_gamma 90.00000
_cell_volume 266.33259
_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
Tl1 Tl 0.13660 0.59005 0.27320 1.00000
Tl2 Tl 0.86340 0.40995 0.72680 1.00000
Te1 Te 0.19843 0.18836 0.39686 1.00000
Te2 Te 0.80157 0.81164 0.60314 1.00000
Te3 Te 0.50989 0.75234 0.01978 1.00000
Te4 Te 0.49011 0.24766 0.98022 1.00000
Pd1 Pd 0.67664 0.98622 0.35328 1.00000
Pd2 Pd 0.32336 0.01378 0.64672 1.00000
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