Pr8Ge3S4
Alexandria ALEXAlex-ID: agm005698458 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C8_5_spg12
Pr4GeS3 Pr4Ge3 Pr
2023-06-29 19:02:38.020077
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005698458).
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 agm005698458
data_agm005698458
_cell_length_a 8.37530
_cell_length_b 8.40213
_cell_length_c 8.40213
_cell_angle_alpha 89.95070
_cell_angle_beta 119.98924
_cell_angle_gamma 119.98925
_cell_volume 418.40033
_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 0.49835 0.24735 0.24735 1.00000
Pr2 Pr 1.00000 0.75272 0.24728 1.00000
Pr3 Pr 0.00156 0.24726 0.24726 1.00000
Pr4 Pr 0.50000 0.75117 0.24883 1.00000
Pr5 Pr 0.50000 0.24883 0.75117 1.00000
Pr6 Pr 0.99844 0.75274 0.75274 1.00000
Pr7 Pr 0.00000 0.24728 0.75272 1.00000
Pr8 Pr 0.50165 0.75265 0.75265 1.00000
Ge1 Ge 0.50000 0.50000 0.00000 1.00000
Ge2 Ge 0.50000 0.00000 0.50000 1.00000
Ge3 Ge 0.50000 0.50000 0.50000 1.00000
S1 S 0.50000 0.00000 0.00000 1.00000
S2 S 0.00000 0.50000 0.00000 1.00000
S3 S 0.00000 0.00000 0.00000 1.00000
S4 S 0.00000 0.00000 0.50000 1.00000
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