CoP2O7
Alexandria ALEXAlex-ID: agm005237656 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_72_spg2
Co(PO3)3 Co(PO3)2 CoO8
2023-05-08 18:12:26.268553
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005237656).
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 agm005237656
data_agm005237656
_cell_length_a 5.23812
_cell_length_b 6.71774
_cell_length_c 8.46685
_cell_angle_alpha 70.79479
_cell_angle_beta 92.01344
_cell_angle_gamma 93.34114
_cell_volume 280.83454
_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 0.74177 0.78986 0.27363 1.00000
Co2 Co 0.25823 0.21014 0.72637 1.00000
P1 P 0.22033 0.44543 0.31703 1.00000
P2 P 0.77967 0.55457 0.68297 1.00000
P3 P 0.27115 0.11529 0.15989 1.00000
P4 P 0.72885 0.88471 0.84011 1.00000
O1 O 0.48783 0.97138 0.74081 1.00000
O2 O 0.02958 0.98728 0.24060 1.00000
O3 O 0.97042 0.01272 0.75940 1.00000
O4 O 0.96935 0.55484 0.28392 1.00000
O5 O 0.22807 0.26089 0.48027 1.00000
O6 O 0.24634 0.35011 0.16644 1.00000
O7 O 0.28438 0.13596 0.97730 1.00000
O8 O 0.51217 0.02862 0.25919 1.00000
O9 O 0.77193 0.73911 0.51973 1.00000
O10 O 0.44950 0.60196 0.29972 1.00000
O11 O 0.03065 0.44516 0.71608 1.00000
O12 O 0.71562 0.86404 0.02270 1.00000
O13 O 0.75366 0.64989 0.83356 1.00000
O14 O 0.55050 0.39804 0.70028 1.00000
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