Pa5Si5Ge2
Alexandria ALEXAlex-ID: agm005665029 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_19_spg12
Pa5Ge4 PaSi2
2023-06-19 07:33:22.983426
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005665029).
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 agm005665029
data_agm005665029
_cell_length_a 3.92458
_cell_length_b 7.57489
_cell_length_c 8.90362
_cell_angle_alpha 85.11868
_cell_angle_beta 77.26791
_cell_angle_gamma 74.98618
_cell_volume 249.25717
_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 0.00000 0.50000 0.50000 1.00000
Pa2 Pa 0.68777 0.70982 0.91464 1.00000
Pa3 Pa 0.36700 0.94362 0.32237 1.00000
Pa4 Pa 0.63300 0.05638 0.67763 1.00000
Pa5 Pa 0.31223 0.29018 0.08536 1.00000
Si1 Si 0.70095 0.22634 0.37175 1.00000
Si2 Si 0.94244 0.28443 0.83068 1.00000
Si3 Si 0.05756 0.71557 0.16932 1.00000
Si4 Si 0.29905 0.77366 0.62825 1.00000
Si5 Si 0.00000 0.00000 0.00000 1.00000
Ge1 Ge 0.38712 0.46629 0.75947 1.00000
Ge2 Ge 0.61288 0.53371 0.24053 1.00000
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