Pa2SnO6
Alexandria ALEXAlex-ID: agm005709699 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_992_spg12
Pa2O5 SnO
2023-07-09 02:45:09.354752
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005709699).
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 agm005709699
data_agm005709699
_cell_length_a 4.30071
_cell_length_b 6.19929
_cell_length_c 7.10267
_cell_angle_alpha 69.26813
_cell_angle_beta 72.37699
_cell_angle_gamma 69.70394
_cell_volume 162.57569
_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 0.82231 0.73806 0.61732 1.00000
Pa2 Pa 0.17769 0.26194 0.38268 1.00000
Sn1 Sn 1.00000 0.00000 0.00000 1.00000
O1 O 0.28576 0.85523 0.57325 1.00000
O2 O 0.71424 0.14477 0.42675 1.00000
O3 O 0.65481 0.79706 0.89332 1.00000
O4 O 0.99260 0.33810 0.67669 1.00000
O5 O 0.34519 0.20294 0.10668 1.00000
O6 O 0.00740 0.66190 0.32331 1.00000
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