Sn(PO3)2
Alexandria ALEXAlex-ID: agm005286087 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1690_spg14
Sn(PO3)2
2023-05-04 03:34:40.097114
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005286087).
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 agm005286087
data_agm005286087
_cell_length_a 13.42284
_cell_length_b 5.97594
_cell_length_c 7.44864
_cell_angle_alpha 90.54202
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 597.45819
_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 0.55320 0.64460 0.73467 1.00000
Sn2 Sn 0.05320 0.35540 0.76533 1.00000
Sn3 Sn 0.94680 0.64460 0.23467 1.00000
Sn4 Sn 0.44680 0.35540 0.26533 1.00000
P1 P 0.14218 0.89334 0.48473 1.00000
P2 P 0.35173 0.97122 0.59417 1.00000
P3 P 0.85173 0.02878 0.90583 1.00000
P4 P 0.64218 0.10666 0.01527 1.00000
P5 P 0.35782 0.89334 0.98472 1.00000
P6 P 0.14827 0.97122 0.09417 1.00000
P7 P 0.64827 0.02878 0.40583 1.00000
P8 P 0.85782 0.10666 0.51527 1.00000
O1 O 0.64899 0.81215 0.50467 1.00000
O2 O 0.25325 0.82434 0.54618 1.00000
O3 O 0.08690 0.68066 0.44309 1.00000
O4 O 0.43681 0.80849 0.57048 1.00000
O5 O 0.09893 0.04952 0.62377 1.00000
O6 O 0.83882 0.96460 0.69568 1.00000
O7 O 0.93681 0.19151 0.92952 1.00000
O8 O 0.58690 0.31934 0.05691 1.00000
O9 O 0.75325 0.17566 0.95382 1.00000
O10 O 0.33882 0.03540 0.80432 1.00000
O11 O 0.14899 0.18785 0.99533 1.00000
O12 O 0.59893 0.95048 0.87623 1.00000
O13 O 0.40107 0.04952 0.12377 1.00000
O14 O 0.85101 0.81215 0.00467 1.00000
O15 O 0.66118 0.96460 0.19568 1.00000
O16 O 0.24675 0.82434 0.04618 1.00000
O17 O 0.41310 0.68066 0.94309 1.00000
O18 O 0.06319 0.80849 0.07048 1.00000
O19 O 0.16118 0.03540 0.30432 1.00000
O20 O 0.90107 0.95048 0.37623 1.00000
O21 O 0.56319 0.19151 0.42952 1.00000
O22 O 0.91310 0.31934 0.55691 1.00000
O23 O 0.74675 0.17566 0.45382 1.00000
O24 O 0.35101 0.18785 0.49533 1.00000
