Pa2SnH3
Alexandria ALEXAlex-ID: agm005670050 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_897_spg12
Pa3Sn PaSn3 PaH3
2023-07-10 01:07:13.688619
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005670050).
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 agm005670050
data_agm005670050
_cell_length_a 4.03392
_cell_length_b 7.99301
_cell_length_c 8.01583
_cell_angle_alpha 47.27075
_cell_angle_beta 75.42652
_cell_angle_gamma 75.38495
_cell_volume 182.53112
_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 0.48360 0.26850 0.76433 1.00000
Pa2 Pa 0.51640 0.73150 0.23567 1.00000
Pa3 Pa 0.80219 0.66075 0.73487 1.00000
Pa4 Pa 0.19781 0.33925 0.26513 1.00000
Sn1 Sn 0.86520 0.07838 0.19121 1.00000
Sn2 Sn 0.13480 0.92162 0.80879 1.00000
H1 H 0.31582 0.46219 0.90616 1.00000
H2 H 0.94654 0.41000 0.69689 1.00000
H3 H 0.61547 0.34281 0.42624 1.00000
H4 H 0.38453 0.65719 0.57376 1.00000
H5 H 0.05346 0.59000 0.30311 1.00000
H6 H 0.68418 0.53781 0.09384 1.00000
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