SrP4PbO12
Alexandria ALEXAlex-ID: agm022035649 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D12_2_spg15
P2PbO6 Sr(PO3)2
2025-02-02 14:07:31
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm022035649).
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 agm022035649
data_agm022035649
_cell_length_a 8.12942
_cell_length_b 8.12942
_cell_length_c 11.38087
_cell_angle_alpha 65.39772
_cell_angle_beta 114.60228
_cell_angle_gamma 111.40375
_cell_volume 604.83949
_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
Sr1 Sr 0.02462 0.02462 0.25000 1.00000
Sr2 Sr 0.97538 0.97538 0.75000 1.00000
P1 P 0.67244 0.31255 0.17637 1.00000
P2 P 0.31255 0.67244 0.32363 1.00000
P3 P 0.32756 0.68745 0.82363 1.00000
P4 P 0.68745 0.32756 0.67637 1.00000
P5 P 0.28096 0.27523 0.97678 1.00000
P6 P 0.27523 0.28096 0.52322 1.00000
P7 P 0.71904 0.72477 0.02322 1.00000
P8 P 0.72477 0.71904 0.47678 1.00000
Pb1 Pb 0.50000 0.00000 0.50000 1.00000
Pb2 Pb 0.00000 0.50000 0.00000 1.00000
O1 O 0.73004 0.53509 0.15120 1.00000
O2 O 0.53509 0.73004 0.34880 1.00000
O3 O 0.26996 0.46491 0.84880 1.00000
O4 O 0.46491 0.26996 0.65120 1.00000
O5 O 0.50221 0.29192 0.04018 1.00000
O6 O 0.29192 0.50221 0.45982 1.00000
O7 O 0.49779 0.70808 0.95982 1.00000
O8 O 0.70808 0.49779 0.54018 1.00000
O9 O 0.61613 0.21529 0.30167 1.00000
O10 O 0.21529 0.61613 0.19833 1.00000
O11 O 0.38387 0.78471 0.69833 1.00000
O12 O 0.78471 0.38387 0.80167 1.00000
O13 O 0.82845 0.26121 0.16820 1.00000
O14 O 0.26121 0.82845 0.33180 1.00000
O15 O 0.17155 0.73879 0.83180 1.00000
O16 O 0.73879 0.17155 0.66820 1.00000
O17 O 0.20485 0.27727 0.07750 1.00000
O18 O 0.27727 0.20485 0.42250 1.00000
O19 O 0.79515 0.72273 0.92250 1.00000
O20 O 0.72273 0.79515 0.57750 1.00000
O21 O 0.19496 0.11715 0.92048 1.00000
O22 O 0.11715 0.19496 0.57952 1.00000
O23 O 0.80504 0.88285 0.07952 1.00000
O24 O 0.88285 0.80504 0.42048 1.00000
