CsUZnTe3
Alexandria ALEXAlex-ID: agm005035993 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD3_429_spg11
Cs2ZnTe2 Cs2(UTe2)3 U2Zn17 ZnTe
2022-07-07 20:56:31.444225
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005035993).
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 agm005035993
data_agm005035993
_cell_length_a 4.47162
_cell_length_b 10.38350
_cell_length_c 10.98628
_cell_angle_alpha 112.49022
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 471.30854
_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
Cs1 Cs 0.25000 0.21598 0.24875 1.00000
Cs2 Cs 0.75000 0.78402 0.75125 1.00000
U1 U 0.25000 0.66856 0.13828 1.00000
U2 U 0.75000 0.33144 0.86172 1.00000
Zn1 Zn 0.25000 0.08946 0.61539 1.00000
Zn2 Zn 0.75000 0.91054 0.38461 1.00000
Te1 Te 0.75000 0.88188 0.13434 1.00000
Te2 Te 0.25000 0.11812 0.86566 1.00000
Te3 Te 0.25000 0.80663 0.45767 1.00000
Te4 Te 0.75000 0.19337 0.54233 1.00000
Te5 Te 0.75000 0.47344 0.16605 1.00000
Te6 Te 0.25000 0.52656 0.83395 1.00000
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