SnP2O7
Alexandria ALEXAlex-ID: agm090212484 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_2024_spg9
SnP2O7
2025-03-23 06:14:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm090212484).
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
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# CIF generated by HEAS from Alexandria entry agm090212484
data_agm090212484
_cell_length_a 7.16488
_cell_length_b 7.16488
_cell_length_c 10.46693
_cell_angle_alpha 54.09568
_cell_angle_beta 125.90432
_cell_angle_gamma 140.27867
_cell_volume 268.45741
_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 0.93570 0.30000 0.97834 1.00000
Sn2 Sn 0.70000 0.06430 0.47834 1.00000
P1 P 0.97669 0.77622 0.26949 1.00000
P2 P 0.24591 0.46162 0.74663 1.00000
P3 P 0.53838 0.75409 0.24663 1.00000
P4 P 0.22378 0.02331 0.76949 1.00000
O1 O 0.01490 0.69631 0.86391 1.00000
O2 O 0.64979 0.05548 0.11427 1.00000
O3 O 0.94452 0.35021 0.61427 1.00000
O4 O 0.30369 0.98510 0.36391 1.00000
O5 O 0.06704 0.08201 0.58569 1.00000
O6 O 0.49606 0.75314 0.37439 1.00000
O7 O 0.24686 0.50394 0.87439 1.00000
O8 O 0.91799 0.93296 0.08569 1.00000
O9 O 0.85753 0.47027 0.29054 1.00000
O10 O 0.52495 0.74175 0.68144 1.00000
O11 O 0.25825 0.47505 0.18144 1.00000
O12 O 0.52973 0.14247 0.79054 1.00000
O13 O 0.27329 0.20454 0.84516 1.00000
O14 O 0.79546 0.72671 0.34516 1.00000
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