LiSb(PO3)4
Alexandria ALEXAlex-ID: agm005289029 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D12_77_spg15
Sb(PO3)3 LiPO3
2024-10-06 01:30:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005289029).
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 agm005289029
data_agm005289029
_cell_length_a 7.19098
_cell_length_b 7.19098
_cell_length_c 10.01599
_cell_angle_alpha 89.40115
_cell_angle_beta 89.40115
_cell_angle_gamma 107.68306
_cell_volume 493.37944
_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 0.31293 0.68707 0.75000 1.00000
Li2 Li 0.68707 0.31293 0.25000 1.00000
Sb1 Sb 0.62127 0.37873 0.75000 1.00000
Sb2 Sb 0.37873 0.62127 0.25000 1.00000
P1 P 0.09391 0.76545 0.03071 1.00000
P2 P 0.76545 0.09391 0.53071 1.00000
P3 P 0.69623 0.80623 0.97905 1.00000
P4 P 0.19377 0.30377 0.52095 1.00000
P5 P 0.80623 0.69623 0.47905 1.00000
P6 P 0.30377 0.19377 0.02095 1.00000
P7 P 0.23455 0.90609 0.46929 1.00000
P8 P 0.90609 0.23455 0.96929 1.00000
O1 O 0.16460 0.74415 0.89495 1.00000
O2 O 0.63992 0.13194 0.64513 1.00000
O3 O 0.59531 0.68369 0.86462 1.00000
O4 O 0.74415 0.16460 0.39495 1.00000
O5 O 0.43074 0.16726 0.90594 1.00000
O6 O 0.13194 0.63992 0.14513 1.00000
O7 O 0.28052 0.14004 0.45881 1.00000
O8 O 0.82718 0.01238 0.91729 1.00000
O9 O 0.98762 0.17282 0.58271 1.00000
O10 O 0.85996 0.71948 0.04119 1.00000
O11 O 0.68369 0.59531 0.36462 1.00000
O12 O 0.83274 0.56926 0.59406 1.00000
O13 O 0.16726 0.43074 0.40594 1.00000
O14 O 0.31631 0.40469 0.63538 1.00000
O15 O 0.14004 0.28052 0.95881 1.00000
O16 O 0.01238 0.82718 0.41729 1.00000
O17 O 0.17282 0.98762 0.08271 1.00000
O18 O 0.71948 0.85996 0.54119 1.00000
O19 O 0.86806 0.36008 0.85487 1.00000
O20 O 0.56926 0.83274 0.09406 1.00000
O21 O 0.25585 0.83540 0.60505 1.00000
O22 O 0.40469 0.31631 0.13538 1.00000
O23 O 0.36008 0.86806 0.35487 1.00000
O24 O 0.83540 0.25585 0.10505 1.00000
