Sr(InTe2)2
Alexandria ALEXAlex-ID: agm003258239 · 空间群: I4/m (#87)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_31_spg87
Sr(InTe2)2
2021-12-03 06:37:53.620920
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003258239).
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 agm003258239
data_agm003258239
_cell_length_a 7.13331
_cell_length_b 7.13331
_cell_length_c 7.13331
_cell_angle_alpha 104.66941
_cell_angle_beta 104.66941
_cell_angle_gamma 119.57201
_cell_volume 272.80432
_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 0.50000 0.50000 0.00000 1.00000
In1 In 0.25000 0.75000 0.50000 1.00000
In2 In 0.75000 0.25000 0.50000 1.00000
Te1 Te 0.83274 0.30873 0.14147 1.00000
Te2 Te 0.69127 0.83274 0.52402 1.00000
Te3 Te 0.30873 0.16726 0.47598 1.00000
Te4 Te 0.16726 0.69127 0.85853 1.00000
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