LiSn(PO3)4
Alexandria ALEXAlex-ID: agm003243793 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D12_65_spg12
LiPO3 SnP4O11 SnP2O7
2021-12-28 09:39:34.560318
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003243793).
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 agm003243793
data_agm003243793
_cell_length_a 11.19935
_cell_length_b 11.19935
_cell_length_c 5.69946
_cell_angle_alpha 75.02736
_cell_angle_beta 75.02736
_cell_angle_gamma 69.81433
_cell_volume 636.78517
_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
Li1 Li 0.39251 0.39251 0.38790 1.00000
Li2 Li 0.60749 0.60749 0.61210 1.00000
Sn1 Sn 0.50000 0.00000 0.00000 1.00000
Sn2 Sn 0.00000 0.50000 0.00000 1.00000
P1 P 0.35557 0.80880 0.86958 1.00000
P2 P 0.80880 0.35557 0.86958 1.00000
P3 P 0.92170 0.69419 0.43353 1.00000
P4 P 0.69419 0.92170 0.43353 1.00000
P5 P 0.07830 0.30581 0.56647 1.00000
P6 P 0.30581 0.07830 0.56647 1.00000
P7 P 0.19120 0.64443 0.13042 1.00000
P8 P 0.64443 0.19120 0.13042 1.00000
O1 O 0.21954 0.78046 0.00000 1.00000
O2 O 0.78046 0.21954 0.00000 1.00000
O3 O 0.64846 0.89837 0.71027 1.00000
O4 O 0.89837 0.64846 0.71027 1.00000
O5 O 0.14718 0.60141 0.94395 1.00000
O6 O 0.60141 0.14718 0.94395 1.00000
O7 O 0.44592 0.70296 0.74170 1.00000
O8 O 0.70296 0.44592 0.74170 1.00000
O9 O 0.30145 0.93321 0.66162 1.00000
O10 O 0.93321 0.30145 0.66162 1.00000
O11 O 0.84724 0.84724 0.36917 1.00000
O12 O 0.37879 0.11662 0.71126 1.00000
O13 O 0.11662 0.37879 0.71126 1.00000
O14 O 0.62121 0.88338 0.28874 1.00000
O15 O 0.88338 0.62121 0.28874 1.00000
O16 O 0.15276 0.15276 0.63083 1.00000
O17 O 0.69855 0.06679 0.33838 1.00000
O18 O 0.06679 0.69855 0.33838 1.00000
O19 O 0.29704 0.55408 0.25830 1.00000
O20 O 0.55408 0.29704 0.25830 1.00000
O21 O 0.39859 0.85282 0.05605 1.00000
O22 O 0.85282 0.39859 0.05605 1.00000
O23 O 0.10163 0.35154 0.28973 1.00000
O24 O 0.35154 0.10163 0.28973 1.00000
