CoP6(WO8)3
Alexandria ALEXAlex-ID: agm003242567 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6D24_0_spg146
P2W2O11 P3(WO6)2 Co(PO3)2 CoP4O11
2022-01-02 15:58:08
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003242567).
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 agm003242567
data_agm003242567
_cell_length_a 8.93864
_cell_length_b 8.93864
_cell_length_c 8.93864
_cell_angle_alpha 58.45991
_cell_angle_beta 58.45991
_cell_angle_gamma 58.45992
_cell_volume 487.21397
_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
P1 P 0.96385 0.25128 0.52805 1.00000
P2 P 0.52805 0.96385 0.25128 1.00000
P3 P 0.25128 0.52805 0.96385 1.00000
P4 P 0.75278 0.46242 0.03773 1.00000
P5 P 0.46242 0.03773 0.75278 1.00000
P6 P 0.03773 0.75278 0.46242 1.00000
Co1 Co 0.14098 0.14098 0.14098 1.00000
O1 O 0.87430 0.69119 0.51624 1.00000
O2 O 0.69119 0.51624 0.87430 1.00000
O3 O 0.94882 0.07200 0.70309 1.00000
O4 O 0.51624 0.87430 0.69119 1.00000
O5 O 0.77792 0.41265 0.59090 1.00000
O6 O 0.97663 0.25149 0.35519 1.00000
O7 O 0.70309 0.94882 0.07200 1.00000
O8 O 0.59090 0.77792 0.41265 1.00000
O9 O 0.41265 0.59090 0.77792 1.00000
O10 O 0.76342 0.64265 0.01411 1.00000
O11 O 0.92984 0.30024 0.03207 1.00000
O12 O 0.64265 0.01411 0.76342 1.00000
O13 O 0.35519 0.97663 0.25149 1.00000
O14 O 0.07200 0.70309 0.94882 1.00000
O15 O 0.25149 0.35519 0.97663 1.00000
O16 O 0.58373 0.42779 0.21857 1.00000
O17 O 0.42779 0.21857 0.58373 1.00000
O18 O 0.30024 0.03207 0.92984 1.00000
O19 O 0.01411 0.76342 0.64265 1.00000
O20 O 0.21857 0.58373 0.42779 1.00000
O21 O 0.50743 0.12554 0.29050 1.00000
O22 O 0.03207 0.92984 0.30024 1.00000
O23 O 0.29050 0.50743 0.12554 1.00000
O24 O 0.12554 0.29050 0.50743 1.00000
W1 W 0.85659 0.85659 0.85659 1.00000
W2 W 0.64274 0.64274 0.64274 1.00000
W3 W 0.35726 0.35726 0.35726 1.00000
