SnP2O7
Alexandria ALEXAlex-ID: agm005246531 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_169_spg2
SnP2O7
2023-05-08 15:08:25.546240
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005246531).
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 agm005246531
data_agm005246531
_cell_length_a 6.53520
_cell_length_b 6.61137
_cell_length_c 7.16955
_cell_angle_alpha 92.44394
_cell_angle_beta 117.82820
_cell_angle_gamma 91.85006
_cell_volume 273.22039
_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 0.09512 0.34281 0.20955 1.00000
Sn2 Sn 0.90488 0.65719 0.79045 1.00000
P1 P 0.32535 0.62877 0.65949 1.00000
P2 P 0.67465 0.37123 0.34051 1.00000
P3 P 0.21539 0.86007 0.28599 1.00000
P4 P 0.78461 0.13993 0.71401 1.00000
O1 O 0.41155 0.33818 0.21708 1.00000
O2 O 0.55382 0.12273 0.70019 1.00000
O3 O 0.44618 0.87727 0.29981 1.00000
O4 O 0.94559 0.96136 0.78108 1.00000
O5 O 0.20943 0.80304 0.50120 1.00000
O6 O 0.23108 0.64136 0.81841 1.00000
O7 O 0.05780 0.66622 0.12593 1.00000
O8 O 0.58845 0.66182 0.78292 1.00000
O9 O 0.79057 0.19696 0.49880 1.00000
O10 O 0.24543 0.42783 0.52231 1.00000
O11 O 0.05441 0.03864 0.21892 1.00000
O12 O 0.94220 0.33378 0.87407 1.00000
O13 O 0.76892 0.35864 0.18159 1.00000
O14 O 0.75457 0.57217 0.47769 1.00000
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