Cs2Er(AgTe2)2
Alexandria ALEXAlex-ID: agm011505643 · 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_238_spg12
CsAgTe CsErTe2 CsAg3Te2 Cs2Te5
2024-05-10 23:02:30.596058
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011505643).
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 agm011505643
data_agm011505643
_cell_length_a 10.28145
_cell_length_b 10.28145
_cell_length_c 7.82172
_cell_angle_alpha 67.75872
_cell_angle_beta 67.75872
_cell_angle_gamma 27.22644
_cell_volume 348.41153
_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 0.84576 0.84576 0.14952 1.00000
Cs2 Cs 0.15424 0.15424 0.85048 1.00000
Er1 Er 0.00000 0.00000 0.50000 1.00000
Ag1 Ag 0.38963 0.38963 0.62549 1.00000
Ag2 Ag 0.61037 0.61037 0.37451 1.00000
Te1 Te 0.82203 0.82203 0.67134 1.00000
Te2 Te 0.17797 0.17797 0.32866 1.00000
Te3 Te 0.50334 0.50334 0.76041 1.00000
Te4 Te 0.49666 0.49666 0.23959 1.00000
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