Pr3SiTe2
Alexandria ALEXAlex-ID: agm041916248 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_36_spg70
Pr3SiTe2
2025-03-02 03:31:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm041916248).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm041916248
data_agm041916248
_cell_length_a 14.76508
_cell_length_b 14.07799
_cell_length_c 7.76798
_cell_angle_alpha 79.32246
_cell_angle_beta 69.54660
_cell_angle_gamma 31.13094
_cell_volume 760.24517
_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
Pr1 Pr 0.66190 0.16252 0.86117 1.00000
Pr2 Pr 0.16252 0.66190 0.31441 1.00000
Pr3 Pr 0.58810 0.08748 0.38883 1.00000
Pr4 Pr 0.08748 0.58810 0.93559 1.00000
Pr5 Pr 0.47504 0.02496 0.02496 1.00000
Pr6 Pr 0.02496 0.47504 0.47504 1.00000
Pr7 Pr 0.93559 0.38883 0.08748 1.00000
Pr8 Pr 0.38883 0.93559 0.58810 1.00000
Pr9 Pr 0.31441 0.86117 0.16252 1.00000
Pr10 Pr 0.86117 0.31441 0.66190 1.00000
Pr11 Pr 0.77496 0.22504 0.22504 1.00000
Pr12 Pr 0.22504 0.77496 0.77496 1.00000
Si1 Si 0.91641 0.91641 0.08359 1.00000
Si2 Si 0.33359 0.33359 0.16641 1.00000
Si3 Si 0.16641 0.16641 0.33359 1.00000
Si4 Si 0.08359 0.08359 0.91641 1.00000
Te1 Te 0.99727 0.99727 0.50273 1.00000
Te2 Te 0.41929 0.41929 0.58071 1.00000
Te3 Te 0.83071 0.83071 0.66929 1.00000
Te4 Te 0.25273 0.25273 0.74727 1.00000
Te5 Te 0.74727 0.74727 0.25273 1.00000
Te6 Te 0.66929 0.66929 0.83071 1.00000
Te7 Te 0.58071 0.58071 0.41929 1.00000
Te8 Te 0.50273 0.50273 0.99727 1.00000
