Pr4GeTe2Se
Alexandria ALEXAlex-ID: agm034706160 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_760_spg74
Pr6Ge2Te3Se Pr6GeTe3Se2
2025-03-01 03:43:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034706160).
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 agm034706160
data_agm034706160
_cell_length_a 8.85994
_cell_length_b 8.85994
_cell_length_c 8.85994
_cell_angle_alpha 120.31047
_cell_angle_beta 119.68643
_cell_angle_gamma 90.00353
_cell_volume 491.78052
_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 0.26216 0.24904 0.48688 1.00000
Pr2 Pr 0.26216 0.77528 0.01312 1.00000
Pr3 Pr 0.73784 0.22472 0.98688 1.00000
Pr4 Pr 0.73784 0.75096 0.51312 1.00000
Pr5 Pr 0.26457 0.24436 0.02022 1.00000
Pr6 Pr 0.72414 0.24436 0.47978 1.00000
Pr7 Pr 0.27586 0.75564 0.52022 1.00000
Pr8 Pr 0.73543 0.75564 0.97978 1.00000
Ge1 Ge 0.50000 0.00000 0.00000 1.00000
Ge2 Ge 0.50000 0.50000 0.50000 1.00000
Te1 Te 0.50000 0.50000 0.00000 1.00000
Te2 Te 0.00000 0.50000 0.50000 1.00000
Te3 Te 0.00000 0.50000 0.00000 1.00000
Te4 Te 0.00000 0.00000 0.50000 1.00000
Se1 Se 0.00000 0.00000 0.00000 1.00000
Se2 Se 0.50000 0.00000 0.50000 1.00000
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