Sb2P4O13
Alexandria ALEXAlex-ID: agm078010396 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C13_44_spg1
SbPO4 Sb(PO3)3
2025-01-09 20:50:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm078010396).
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 agm078010396
data_agm078010396
_cell_length_a 6.88258
_cell_length_b 6.91913
_cell_length_c 9.27610
_cell_angle_alpha 110.85457
_cell_angle_beta 111.53567
_cell_angle_gamma 91.91520
_cell_volume 377.07918
_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
Sb1 Sb 0.71496 0.25039 0.99750 1.00000
Sb2 Sb 0.28301 0.72928 0.97109 1.00000
P1 P 0.57631 0.17038 0.29823 1.00000
P2 P 0.81866 0.36515 0.68839 1.00000
P3 P 0.76329 0.73845 0.91624 1.00000
P4 P 0.24723 0.31431 0.09642 1.00000
O1 O 0.74501 0.20246 0.23696 1.00000
O2 O 0.77567 0.23591 0.77925 1.00000
O3 O 0.26850 0.12060 0.96595 1.00000
O4 O 0.00466 0.77770 0.01704 1.00000
O5 O 0.70871 0.56988 0.72421 1.00000
O6 O 0.41924 0.33501 0.28266 1.00000
O7 O 0.31521 0.52400 0.09011 1.00000
O8 O 0.64027 0.64520 0.98983 1.00000
O9 O 0.04571 0.43044 0.72077 1.00000
O10 O 0.45044 0.94775 0.22606 1.00000
O11 O 0.68272 0.93044 0.88359 1.00000
O12 O 0.03659 0.30963 0.12088 1.00000
O13 O 0.67615 0.23068 0.49483 1.00000
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