Co3(PO7)2
Alexandria ALEXAlex-ID: agm005222319 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C14_14_spg139
Co3(PO4)2 CoPO4 CoO8
2023-05-07 23:57:45.780665
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005222319).
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 agm005222319
data_agm005222319
_cell_length_a 7.66556
_cell_length_b 7.66556
_cell_length_c 7.66556
_cell_angle_alpha 132.40216
_cell_angle_beta 132.40216
_cell_angle_gamma 69.59459
_cell_volume 240.92157
_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 0.71060 0.71060 0.00000 1.00000
Co2 Co 0.28940 0.28940 0.00000 1.00000
Co3 Co 0.00000 0.00000 0.00000 1.00000
P1 P 0.25000 0.75000 0.50000 1.00000
P2 P 0.75000 0.25000 0.50000 1.00000
O1 O 0.37164 0.67459 0.69785 1.00000
O2 O 0.97674 0.67378 0.30215 1.00000
O3 O 0.32622 0.62836 0.30295 1.00000
O4 O 0.32541 0.02326 0.69705 1.00000
O5 O 0.67378 0.37164 0.69705 1.00000
O6 O 0.67459 0.97674 0.30295 1.00000
O7 O 0.02326 0.32622 0.69785 1.00000
O8 O 0.62836 0.32541 0.30215 1.00000
O9 O 0.84458 0.84458 0.00000 1.00000
O10 O 0.15542 0.15542 0.00000 1.00000
O11 O 0.20071 0.20208 0.40278 1.00000
O12 O 0.79929 0.79792 0.59722 1.00000
O13 O 0.20208 0.79929 0.00137 1.00000
O14 O 0.79792 0.20071 0.99863 1.00000
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