SrTePbI2
Alexandria ALEXAlex-ID: agm005014726 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_1597_spg63
TePb SrI2
2022-07-05 04:01:10.606701
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005014726).
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 agm005014726
data_agm005014726
_cell_length_a 4.67054
_cell_length_b 7.88418
_cell_length_c 11.51430
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 107.22930
_cell_volume 404.96942
_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 0.26572 0.53144 0.75000 1.00000
Sr2 Sr 0.73428 0.46856 0.25000 1.00000
Te1 Te 0.91258 0.82516 0.75000 1.00000
Te2 Te 0.08742 0.17484 0.25000 1.00000
Pb1 Pb 0.00000 0.00000 0.50000 1.00000
Pb2 Pb 0.00000 0.00000 0.00000 1.00000
I1 I 0.64995 0.29989 0.56686 1.00000
I2 I 0.35005 0.70011 0.43314 1.00000
I3 I 0.35005 0.70011 0.06686 1.00000
I4 I 0.64995 0.29989 0.93314 1.00000
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