Sn2P3O10
Alexandria ALEXAlex-ID: agm005267635 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C10_40_spg15
SnP2O7 Sn(PO3)2 Sn2P2O7
2023-05-14 09:04:09.570670
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005267635).
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 agm005267635
data_agm005267635
_cell_length_a 7.71453
_cell_length_b 7.71453
_cell_length_c 10.75134
_cell_angle_alpha 67.52275
_cell_angle_beta 67.52275
_cell_angle_gamma 86.04006
_cell_volume 544.09738
_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
Sn1 Sn 0.63586 0.68742 0.90074 1.00000
Sn2 Sn 0.68742 0.63586 0.40074 1.00000
Sn3 Sn 0.31258 0.36414 0.59926 1.00000
Sn4 Sn 0.36414 0.31258 0.09926 1.00000
P1 P 0.38401 0.94646 0.83123 1.00000
P2 P 0.05883 0.94117 0.75000 1.00000
P3 P 0.05354 0.61599 0.66877 1.00000
P4 P 0.94646 0.38401 0.33123 1.00000
P5 P 0.94117 0.05883 0.25000 1.00000
P6 P 0.61599 0.05354 0.16877 1.00000
O1 O 0.85182 0.89088 0.84874 1.00000
O2 O 0.17491 0.87379 0.85218 1.00000
O3 O 0.53221 0.85338 0.73540 1.00000
O4 O 0.89088 0.85182 0.34874 1.00000
O5 O 0.60241 0.83861 0.23517 1.00000
O6 O 0.12621 0.82509 0.64782 1.00000
O7 O 0.83861 0.60241 0.73517 1.00000
O8 O 0.39490 0.85849 0.98126 1.00000
O9 O 0.14151 0.60510 0.51874 1.00000
O10 O 0.85338 0.53221 0.23540 1.00000
O11 O 0.14662 0.46779 0.76460 1.00000
O12 O 0.85849 0.39490 0.48126 1.00000
O13 O 0.60510 0.14151 0.01874 1.00000
O14 O 0.16139 0.39759 0.26483 1.00000
O15 O 0.87379 0.17491 0.35218 1.00000
O16 O 0.39759 0.16139 0.76483 1.00000
O17 O 0.10912 0.14818 0.65126 1.00000
O18 O 0.46779 0.14662 0.26460 1.00000
O19 O 0.82509 0.12621 0.14782 1.00000
O20 O 0.14818 0.10912 0.15126 1.00000
