Pa3Ge2S
Alexandria ALEXAlex-ID: agm005690270 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_873_spg71
Pa6GeS5 PaGe2 Pa5Ge4
2023-08-25 04:40:00.693500
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690270).
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 agm005690270
data_agm005690270
_cell_length_a 4.07099
_cell_length_b 5.74615
_cell_length_c 7.01412
_cell_angle_alpha 114.18053
_cell_angle_beta 106.87058
_cell_angle_gamma 90.00001
_cell_volume 141.90542
_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
Pa1 Pa 0.50000 0.50000 0.00000 1.00000
Pa2 Pa 0.15869 0.15872 0.31743 1.00000
Pa3 Pa 0.84131 0.84128 0.68257 1.00000
Ge1 Ge 0.17050 0.67048 0.34097 1.00000
Ge2 Ge 0.82950 0.32952 0.65903 1.00000
S1 S 0.50000 0.00000 0.00000 1.00000
