SnPO4
Alexandria ALEXAlex-ID: agm002173641 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_556_spg4
SnP2O7 Sn3(PO4)2 SnO2
2018-06-15 21:03:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002173641).
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 agm002173641
data_agm002173641
_cell_length_a 4.85337
_cell_length_b 4.87467
_cell_length_c 8.31412
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 62.87267
_cell_volume 175.06228
_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
P1 P 0.41151 0.60183 0.00902 1.00000
P2 P 0.58849 0.39817 0.50902 1.00000
Sn1 Sn 0.91860 0.72163 0.70761 1.00000
Sn2 Sn 0.08140 0.27837 0.20761 1.00000
O1 O 0.69323 0.25778 0.33814 1.00000
O2 O 0.30677 0.74222 0.83814 1.00000
O3 O 0.80002 0.17507 0.64211 1.00000
O4 O 0.61141 0.70423 0.52550 1.00000
O5 O 0.19998 0.82493 0.14211 1.00000
O6 O 0.75561 0.53897 0.02762 1.00000
O7 O 0.24439 0.46103 0.52762 1.00000
O8 O 0.38859 0.29577 0.02550 1.00000
Get direct link