Sr2PrTe3
Alexandria ALEXAlex-ID: agm005651185 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_36_spg70
PrTe SrTe
2023-08-25 02:16:58.918661
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005651185).
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 agm005651185
data_agm005651185
_cell_length_a 8.07767
_cell_length_b 8.07767
_cell_length_c 14.69739
_cell_angle_alpha 100.59062
_cell_angle_beta 100.59063
_cell_angle_gamma 109.34056
_cell_volume 857.94987
_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 0.99916 0.49916 0.99831 1.00000
Sr2 Sr 0.41725 0.41725 0.83450 1.00000
Sr3 Sr 0.83275 0.33275 0.66550 1.00000
Sr4 Sr 0.25084 0.25084 0.50169 1.00000
Sr5 Sr 0.74916 0.74916 0.49831 1.00000
Sr6 Sr 0.66725 0.16725 0.33450 1.00000
Sr7 Sr 0.58275 0.58275 0.16550 1.00000
Sr8 Sr 0.50084 0.00084 0.00169 1.00000
Pr1 Pr 0.91699 0.91699 0.83398 1.00000
Pr2 Pr 0.33301 0.83301 0.66602 1.00000
Pr3 Pr 0.16699 0.66699 0.33398 1.00000
Pr4 Pr 0.08301 0.08301 0.16602 1.00000
Te1 Te 0.16627 0.67254 0.83109 1.00000
Te2 Te 0.66482 0.15854 0.83109 1.00000
Te3 Te 0.08373 0.07746 0.66891 1.00000
Te4 Te 0.58518 0.59146 0.66891 1.00000
Te5 Te 0.00638 0.50638 0.50000 1.00000
Te6 Te 0.49362 0.99362 0.50000 1.00000
Te7 Te 0.40854 0.41482 0.33109 1.00000
Te8 Te 0.92254 0.91627 0.33109 1.00000
Te9 Te 0.84146 0.33518 0.16891 1.00000
Te10 Te 0.32746 0.83373 0.16891 1.00000
Te11 Te 0.24361 0.24361 1.00000 1.00000
Te12 Te 0.75639 0.75639 0.00000 1.00000
