Sn2P2O7
Alexandria ALEXAlex-ID: agm003228686 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_79_spg14
Sn2P2O7
2021-12-19 15:01:07.429793
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003228686).
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 agm003228686
data_agm003228686
_cell_length_a 9.79682
_cell_length_b 5.40987
_cell_length_c 7.56708
_cell_angle_alpha 64.15502
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 360.93724
_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 0.38094 0.34778 0.85906 1.00000
Sn2 Sn 0.88094 0.65222 0.64094 1.00000
Sn3 Sn 0.61906 0.65222 0.14094 1.00000
Sn4 Sn 0.11906 0.34778 0.35906 1.00000
P1 P 0.39273 0.89157 0.39054 1.00000
P2 P 0.60727 0.10843 0.60946 1.00000
P3 P 0.89273 0.10843 0.10946 1.00000
P4 P 0.10727 0.89157 0.89054 1.00000
O1 O 0.84920 0.39726 0.96465 1.00000
O2 O 0.65080 0.39726 0.46465 1.00000
O3 O 0.53420 0.10127 0.79204 1.00000
O4 O 0.72466 0.90157 0.68043 1.00000
O5 O 0.15080 0.60274 0.03535 1.00000
O6 O 0.27534 0.09843 0.31957 1.00000
O7 O 0.22466 0.09843 0.81957 1.00000
O8 O 0.46580 0.89873 0.20796 1.00000
O9 O 0.00000 0.00000 0.00000 1.00000
O10 O 0.34920 0.60274 0.53535 1.00000
O11 O 0.03420 0.89873 0.70796 1.00000
O12 O 0.50000 0.00000 0.50000 1.00000
O13 O 0.77534 0.90157 0.18043 1.00000
O14 O 0.96580 0.10127 0.29204 1.00000
