GePdS
Alexandria ALEXAlex-ID: agm003598546 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_1557_spg36
GePdS
2022-03-10 05:21:17.513458
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003598546).
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 agm003598546
data_agm003598546
_cell_length_a 3.88204
_cell_length_b 4.20269
_cell_length_c 8.37530
_cell_angle_alpha 90.00000
_cell_angle_beta 103.40045
_cell_angle_gamma 90.00000
_cell_volume 132.92277
_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
Ge1 Ge 0.19565 0.16435 0.39130 1.00000
Ge2 Ge 0.80435 0.66435 0.60870 1.00000
Pd1 Pd 0.34137 0.33381 0.68273 1.00000
Pd2 Pd 0.65863 0.83381 0.31727 1.00000
S1 S 0.09716 0.54286 0.19433 1.00000
S2 S 0.90284 0.04286 0.80567 1.00000
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