CeFeP3PbO12
Alexandria ALEXAlex-ID: agm010940935 · Space group: R3c (#161)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3E12_11_spg161
CeP2O7 Fe2P4Pb3O16 FePO4 Ce2P2O9
2024-08-24 23:56:05.859841
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010940935).
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 agm010940935
data_agm010940935
_cell_length_a 9.53238
_cell_length_b 9.53238
_cell_length_c 9.53238
_cell_angle_alpha 56.22935
_cell_angle_beta 56.22935
_cell_angle_gamma 56.22935
_cell_volume 559.02874
_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
Ce1 Ce 0.85510 0.85510 0.85510 1.00000
Ce2 Ce 0.35510 0.35510 0.35510 1.00000
Fe1 Fe 0.65532 0.65532 0.65532 1.00000
Fe2 Fe 0.15532 0.15532 0.15532 1.00000
P1 P 0.94837 0.27405 0.52058 1.00000
P2 P 0.52058 0.94837 0.27405 1.00000
P3 P 0.27405 0.52058 0.94837 1.00000
P4 P 0.77405 0.44837 0.02058 1.00000
P5 P 0.44837 0.02058 0.77405 1.00000
P6 P 0.02058 0.77405 0.44837 1.00000
Pb1 Pb 0.01562 0.01562 0.01562 1.00000
Pb2 Pb 0.51562 0.51562 0.51562 1.00000
O1 O 0.85759 0.74461 0.48520 1.00000
O2 O 0.74461 0.48520 0.85759 1.00000
O3 O 0.48520 0.85759 0.74461 1.00000
O4 O 0.90520 0.11626 0.69981 1.00000
O5 O 0.78120 0.45299 0.53431 1.00000
O6 O 0.98520 0.24461 0.35759 1.00000
O7 O 0.69981 0.90520 0.11626 1.00000
O8 O 0.53431 0.78120 0.45299 1.00000
O9 O 0.45299 0.53431 0.78120 1.00000
O10 O 0.79164 0.60842 0.00377 1.00000
O11 O 0.95299 0.28120 0.03431 1.00000
O12 O 0.60842 0.00377 0.79164 1.00000
O13 O 0.35759 0.98520 0.24461 1.00000
O14 O 0.11626 0.69981 0.90520 1.00000
O15 O 0.24461 0.35759 0.98520 1.00000
O16 O 0.61626 0.40520 0.19981 1.00000
O17 O 0.40520 0.19981 0.61626 1.00000
O18 O 0.28120 0.03431 0.95299 1.00000
O19 O 0.00377 0.79164 0.60842 1.00000
O20 O 0.19981 0.61626 0.40520 1.00000
O21 O 0.03431 0.95299 0.28120 1.00000
O22 O 0.50377 0.10842 0.29164 1.00000
O23 O 0.29164 0.50377 0.10842 1.00000
O24 O 0.10842 0.29164 0.50377 1.00000
