Pr(Tc3Se4)2
Alexandria ALEXAlex-ID: agm066480403 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_3_spg148
Pr2Se3 TcSe2 Tc
2024-10-07 07:04:26.584480
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm066480403).
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 agm066480403
data_agm066480403
_cell_length_a 6.71493
_cell_length_b 6.71493
_cell_length_c 6.71493
_cell_angle_alpha 88.91551
_cell_angle_beta 88.91551
_cell_angle_gamma 88.91551
_cell_volume 302.61775
_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 0.00000 0.00000 0.00000 1.00000
Tc1 Tc 0.76687 0.58205 0.43317 1.00000
Tc2 Tc 0.58205 0.43317 0.76687 1.00000
Tc3 Tc 0.43317 0.76687 0.58205 1.00000
Tc4 Tc 0.23313 0.41795 0.56683 1.00000
Tc5 Tc 0.41795 0.56683 0.23313 1.00000
Tc6 Tc 0.56683 0.23313 0.41795 1.00000
Se1 Se 0.75460 0.75460 0.75460 1.00000
Se2 Se 0.24540 0.24540 0.24540 1.00000
Se3 Se 0.24647 0.62535 0.88230 1.00000
Se4 Se 0.62535 0.88230 0.24647 1.00000
Se5 Se 0.88230 0.24647 0.62535 1.00000
Se6 Se 0.75353 0.37465 0.11770 1.00000
Se7 Se 0.37465 0.11770 0.75353 1.00000
Se8 Se 0.11770 0.75353 0.37465 1.00000
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