PaGaSn
Alexandria ALEXAlex-ID: agm005684816 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_8_spg63
Pa3Sn PaGa2Sn PaSn3
2023-06-19 09:19:43.465803
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005684816).
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 agm005684816
data_agm005684816
_cell_length_a 8.32507
_cell_length_b 5.43678
_cell_length_c 12.53743
_cell_angle_alpha 29.90448
_cell_angle_beta 139.14991
_cell_angle_gamma 150.75502
_cell_volume 138.21532
_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 0.00000 1.00000
Pa2 Pa 0.00000 0.50000 0.50000 1.00000
Ga1 Ga 0.65149 0.95360 0.25025 1.00000
Ga2 Ga 0.34851 0.04640 0.74975 1.00000
Sn1 Sn 0.68008 0.03969 0.75030 1.00000
Sn2 Sn 0.31992 0.96031 0.24970 1.00000
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