Sr2(ErTe2)3
Alexandria ALEXAlex-ID: agm005604345 · 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
A2B3C6_239_spg12
Er3Te4 SrTe
2023-06-12 23:33:13.992258
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005604345).
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 agm005604345
data_agm005604345
_cell_length_a 7.62295
_cell_length_b 7.62510
_cell_length_c 8.05287
_cell_angle_alpha 80.86889
_cell_angle_beta 71.48954
_cell_angle_gamma 60.00931
_cell_volume 384.43282
_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
Sr1 Sr 0.16592 0.66816 0.50000 1.00000
Sr2 Sr 0.83408 0.33184 0.50000 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
Er2 Er 0.33134 0.33732 0.00000 1.00000
Er3 Er 0.66866 0.66268 1.00000 1.00000
Te1 Te 0.41021 0.67129 0.77042 1.00000
Te2 Te 0.73839 0.00000 0.77300 1.00000
Te3 Te 0.08150 0.32871 0.77042 1.00000
Te4 Te 0.26161 1.00000 0.22700 1.00000
Te5 Te 0.58979 0.32871 0.22958 1.00000
Te6 Te 0.91850 0.67129 0.22958 1.00000
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