SnP2WO8
Alexandria ALEXAlex-ID: agm004884516 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_718_spg12
P3(WO6)2 Sn3(PO4)2 W
2023-01-05 08:15:39.241894
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004884516).
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 agm004884516
data_agm004884516
_cell_length_a 4.93458
_cell_length_b 4.93458
_cell_length_c 7.57446
_cell_angle_alpha 89.05770
_cell_angle_beta 89.05770
_cell_angle_gamma 66.14471
_cell_volume 168.64935
_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 0.00000 0.00000 0.50000 1.00000
P1 P 0.64188 0.64188 0.22285 1.00000
P2 P 0.35812 0.35812 0.77715 1.00000
W1 W 0.00000 0.00000 0.00000 1.00000
O1 O 0.70395 0.22817 0.79787 1.00000
O2 O 0.76284 0.76284 0.06324 1.00000
O3 O 0.71546 0.71546 0.40467 1.00000
O4 O 0.28454 0.28454 0.59533 1.00000
O5 O 0.23716 0.23716 0.93676 1.00000
O6 O 0.22817 0.70395 0.79787 1.00000
O7 O 0.77183 0.29605 0.20213 1.00000
O8 O 0.29605 0.77183 0.20213 1.00000
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