UTa2(AgTe3)2
Alexandria ALEXAlex-ID: agm004587342 · 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
AB2C2D6_25_spg12
UTe2 Ag TaTe2
2022-06-23 05:14:45.505188
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004587342).
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 agm004587342
data_agm004587342
_cell_length_a 6.44903
_cell_length_b 6.44903
_cell_length_c 8.67787
_cell_angle_alpha 98.51527
_cell_angle_beta 98.51527
_cell_angle_gamma 119.13758
_cell_volume 301.46858
_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 0.50000 1.00000
Ta1 Ta 0.34125 0.65875 0.50000 1.00000
Ta2 Ta 0.65875 0.34125 0.50000 1.00000
Ag1 Ag 0.81017 0.18983 0.00000 1.00000
Ag2 Ag 0.18983 0.81017 0.00000 1.00000
Te1 Te 0.75374 0.75374 0.73802 1.00000
Te2 Te 0.08673 0.43485 0.72731 1.00000
Te3 Te 0.24626 0.24626 0.26198 1.00000
Te4 Te 0.43485 0.08673 0.72731 1.00000
Te5 Te 0.91327 0.56515 0.27269 1.00000
Te6 Te 0.56515 0.91327 0.27269 1.00000
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