CoPO4
Alexandria ALEXAlex-ID: agm005220048 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_69_spg2
CoPO4
2022-12-13 00:33:13.477530
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005220048).
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 agm005220048
data_agm005220048
_cell_length_a 5.85482
_cell_length_b 6.40181
_cell_length_c 9.29962
_cell_angle_alpha 75.01130
_cell_angle_beta 77.76089
_cell_angle_gamma 80.35352
_cell_volume 326.69616
_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 0.33573 0.89630 0.80683 1.00000
Co2 Co 0.78700 0.18090 0.55669 1.00000
Co3 Co 0.21300 0.81910 0.44331 1.00000
Co4 Co 0.66427 0.10370 0.19317 1.00000
P1 P 0.81387 0.89423 0.88199 1.00000
P2 P 0.66646 0.72873 0.50426 1.00000
P3 P 0.33354 0.27127 0.49574 1.00000
P4 P 0.18613 0.10577 0.11801 1.00000
O1 O 0.63088 0.76607 0.85342 1.00000
O2 O 0.06279 0.76178 0.85642 1.00000
O3 O 0.24767 0.06321 0.96075 1.00000
O4 O 0.82718 0.11176 0.75587 1.00000
O5 O 0.85244 0.85991 0.53017 1.00000
O6 O 0.42052 0.76839 0.60765 1.00000
O7 O 0.76368 0.49208 0.52519 1.00000
O8 O 0.39974 0.17449 0.65695 1.00000
O9 O 0.60026 0.82551 0.34305 1.00000
O10 O 0.23632 0.50792 0.47481 1.00000
O11 O 0.57948 0.23161 0.39235 1.00000
O12 O 0.14756 0.14009 0.46983 1.00000
O13 O 0.17282 0.88824 0.24413 1.00000
O14 O 0.75233 0.93679 0.03925 1.00000
O15 O 0.93721 0.23822 0.14358 1.00000
O16 O 0.36912 0.23393 0.14658 1.00000
