Cs3(ZnTe2)2
Alexandria ALEXAlex-ID: agm005658655 · 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
A2B3C4_731_spg12
Cs2ZnTe2 Cs2Te5 ZnTe
2023-06-29 08:21:08.880849
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005658655).
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 agm005658655
data_agm005658655
_cell_length_a 4.29671
_cell_length_b 11.47489
_cell_length_c 12.69180
_cell_angle_alpha 131.49654
_cell_angle_beta 99.74890
_cell_angle_gamma 89.99634
_cell_volume 456.56275
_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 0.12630 0.67151 0.25274 1.00000
Cs2 Cs 0.87370 0.32849 0.74726 1.00000
Cs3 Cs 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.63565 0.99100 0.27111 1.00000
Zn2 Zn 0.36435 0.00900 0.72889 1.00000
Te1 Te 0.50710 0.72171 0.01411 1.00000
Te2 Te 0.20435 0.15225 0.40851 1.00000
Te3 Te 0.49290 0.27829 0.98589 1.00000
Te4 Te 0.79565 0.84775 0.59149 1.00000
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