CoP2O7
Alexandria ALEXAlex-ID: agm005280042 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_204_spg14
Co(PO3)3 Co(PO3)2 CoO8
2024-10-09 21:20:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005280042).
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 agm005280042
data_agm005280042
_cell_length_a 5.22517
_cell_length_b 8.31734
_cell_length_c 13.60992
_cell_angle_alpha 70.53178
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 557.66376
_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 0.25490 0.26684 0.14230 1.00000
Co2 Co 0.24510 0.26684 0.64230 1.00000
Co3 Co 0.75490 0.73316 0.35770 1.00000
Co4 Co 0.74510 0.73316 0.85770 1.00000
P1 P 0.73411 0.16518 0.30447 1.00000
P2 P 0.27129 0.68584 0.52501 1.00000
P3 P 0.77129 0.31416 0.97499 1.00000
P4 P 0.76589 0.16518 0.80447 1.00000
P5 P 0.23411 0.83482 0.19553 1.00000
P6 P 0.22871 0.68584 0.02501 1.00000
P7 P 0.72871 0.31416 0.47499 1.00000
P8 P 0.26589 0.83482 0.69553 1.00000
O1 O 0.52951 0.75681 0.72928 1.00000
O2 O 0.20892 0.82327 0.58170 1.00000
O3 O 0.05232 0.74014 0.76736 1.00000
O4 O 0.74199 0.49044 0.89114 1.00000
O5 O 0.54520 0.71827 0.48497 1.00000
O6 O 0.04520 0.28173 0.01503 1.00000
O7 O 0.57630 0.28281 0.06159 1.00000
O8 O 0.24199 0.50956 0.60886 1.00000
O9 O 0.74229 0.97445 0.32109 1.00000
O10 O 0.55232 0.25986 0.73264 1.00000
O11 O 0.24229 0.02555 0.17891 1.00000
O12 O 0.70892 0.17673 0.91830 1.00000
O13 O 0.02951 0.24319 0.77072 1.00000
O14 O 0.07630 0.71719 0.43841 1.00000
O15 O 0.92370 0.28281 0.56159 1.00000
O16 O 0.97049 0.75681 0.22928 1.00000
O17 O 0.29108 0.82327 0.08170 1.00000
O18 O 0.75771 0.97445 0.82109 1.00000
O19 O 0.44768 0.74014 0.26736 1.00000
O20 O 0.25771 0.02555 0.67891 1.00000
O21 O 0.75801 0.49044 0.39114 1.00000
O22 O 0.42370 0.71719 0.93841 1.00000
O23 O 0.95480 0.71827 0.98497 1.00000
O24 O 0.45480 0.28173 0.51503 1.00000
O25 O 0.25801 0.50956 0.10886 1.00000
O26 O 0.94768 0.25986 0.23264 1.00000
O27 O 0.79108 0.17673 0.41830 1.00000
O28 O 0.47049 0.24319 0.27072 1.00000
