Co2P2H4PbO10
Alexandria ALEXAlex-ID: agm005273777 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4E10_142_spg11
P2Pb3O8 H2O Co3(PO4)2
2024-10-19 02:46:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005273777).
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 agm005273777
data_agm005273777
_cell_length_a 6.37890
_cell_length_b 7.53611
_cell_length_c 9.02357
_cell_angle_alpha 114.35409
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 395.18143
_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
Co1 Co 0.50000 0.50000 0.00000 1.00000
Co2 Co 0.00000 0.50000 0.00000 1.00000
Co3 Co 0.00000 0.50000 0.50000 1.00000
Co4 Co 0.50000 0.50000 0.50000 1.00000
P1 P 0.25000 0.22735 0.67563 1.00000
P2 P 0.75000 0.77265 0.32437 1.00000
P3 P 0.75000 0.20974 0.16199 1.00000
P4 P 0.25000 0.79026 0.83801 1.00000
H1 H 0.25000 0.91381 0.61921 1.00000
H2 H 0.75000 0.08619 0.38079 1.00000
H3 H 0.75000 0.30911 0.60491 1.00000
H4 H 0.25000 0.69089 0.39509 1.00000
H5 H 0.75000 0.75291 0.96378 1.00000
H6 H 0.25000 0.24709 0.03622 1.00000
H7 H 0.75000 0.55175 0.78516 1.00000
H8 H 0.25000 0.44825 0.21484 1.00000
Pb1 Pb 0.75000 0.99282 0.76637 1.00000
Pb2 Pb 0.25000 0.00718 0.23363 1.00000
O1 O 0.25000 0.32101 0.55187 1.00000
O2 O 0.75000 0.67899 0.44813 1.00000
O3 O 0.25000 0.99603 0.55790 1.00000
O4 O 0.75000 0.00397 0.44210 1.00000
O5 O 0.45268 0.26722 0.77706 1.00000
O6 O 0.95268 0.73278 0.22294 1.00000
O7 O 0.54732 0.73278 0.22294 1.00000
O8 O 0.04732 0.26722 0.77706 1.00000
O9 O 0.75000 0.99495 0.03483 1.00000
O10 O 0.25000 0.00505 0.96517 1.00000
O11 O 0.75000 0.34013 0.06395 1.00000
O12 O 0.25000 0.65987 0.93605 1.00000
O13 O 0.55328 0.24810 0.27464 1.00000
O14 O 0.05328 0.75190 0.72536 1.00000
O15 O 0.44672 0.75190 0.72536 1.00000
O16 O 0.94672 0.24810 0.27464 1.00000
O17 O 0.75000 0.43953 0.60715 1.00000
O18 O 0.25000 0.56047 0.39285 1.00000
O19 O 0.75000 0.60684 0.91291 1.00000
O20 O 0.25000 0.39316 0.08709 1.00000
