Pr6SiTe2Se3
Alexandria ALEXAlex-ID: agm004598511 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_214_spg12
Pr6SiSe5 Pr6SiTe3Se2
2022-06-29 19:05:08.021837
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004598511).
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 agm004598511
data_agm004598511
_cell_length_a 4.34250
_cell_length_b 8.78594
_cell_length_c 9.79053
_cell_angle_alpha 102.15302
_cell_angle_beta 102.81303
_cell_angle_gamma 90.00000
_cell_volume 355.64588
_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 0.34264 0.93303 0.68528 1.00000
Pr2 Pr 0.65652 0.60069 0.31305 1.00000
Pr3 Pr 0.65736 0.06697 0.31472 1.00000
Pr4 Pr 0.99661 0.23296 0.99322 1.00000
Pr5 Pr 0.00339 0.76704 0.00678 1.00000
Pr6 Pr 0.34348 0.39931 0.68695 1.00000
Si1 Si 0.50000 0.00000 0.00000 1.00000
Te1 Te 0.83046 0.65973 0.66092 1.00000
Te2 Te 0.16954 0.34027 0.33908 1.00000
Se1 Se 0.50000 0.50000 0.00000 1.00000
Se2 Se 0.82983 0.16173 0.65966 1.00000
Se3 Se 0.17017 0.83827 0.34034 1.00000
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