Sr5Te4I
Alexandria ALEXAlex-ID: agm006100729 · Space group: I4/m (#87)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_3_spg79
SrTe Sr SrI2
2023-10-18 04:16:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006100729).
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}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm006100729
data_agm006100729
_cell_length_a 6.69041
_cell_length_b 8.20640
_cell_length_c 8.20640
_cell_angle_alpha 80.43506
_cell_angle_beta 65.94371
_cell_angle_gamma 65.94371
_cell_volume 375.69697
_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 0.89844 0.41493 0.79003 1.00000
Sr2 Sr 0.31337 0.79003 0.58507 1.00000
Sr3 Sr 0.68847 0.20997 0.41493 1.00000
Sr4 Sr 0.10340 0.58507 0.20997 1.00000
Sr5 Sr 0.50142 1.00000 0.00000 1.00000
Te1 Te 0.39647 0.40114 0.80781 1.00000
Te2 Te 0.79761 0.80781 0.59886 1.00000
Te3 Te 0.20428 0.19219 0.40114 1.00000
Te4 Te 0.60542 0.59886 0.19219 1.00000
I1 I 0.00143 0.00000 1.00000 1.00000
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