Pr6Ge2Sb3Te
Alexandria ALEXAlex-ID: agm004595313 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
Pr6Ge2SbTe3 Pr6Sb5Te PrGe
2022-06-27 10:45:48.331353
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004595313).
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 agm004595313
data_agm004595313
_cell_length_a 4.46596
_cell_length_b 9.00018
_cell_length_c 10.01981
_cell_angle_alpha 102.87893
_cell_angle_beta 102.87687
_cell_angle_gamma 90.00000
_cell_volume 382.21217
_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 0.33101 0.90491 0.66202 1.00000
Pr2 Pr 0.66982 0.57651 0.33964 1.00000
Pr3 Pr 0.66899 0.09509 0.33798 1.00000
Pr4 Pr 0.00621 0.25764 0.01241 1.00000
Pr5 Pr 0.99379 0.74236 0.98759 1.00000
Pr6 Pr 0.33018 0.42349 0.66036 1.00000
Ge1 Ge 0.83284 0.66669 0.66569 1.00000
Ge2 Ge 0.16716 0.33331 0.33431 1.00000
Sb1 Sb 0.50000 0.50000 0.00000 1.00000
Sb2 Sb 0.83691 0.16716 0.67383 1.00000
Sb3 Sb 0.16309 0.83284 0.32617 1.00000
Te1 Te 0.50000 0.00000 0.00000 1.00000
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