K3Co2P2(CO7)2
Alexandria ALEXAlex-ID: agm010131339 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C2D3E14_24_spg1
K2CoPCO7 CoCO3 K2CoP2O7 KO12 CO2
2024-07-18 02:57:38.936636
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010131339).
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 agm010131339
data_agm010131339
_cell_length_a 8.35179
_cell_length_b 8.35489
_cell_length_c 10.02448
_cell_angle_alpha 90.30065
_cell_angle_beta 93.73542
_cell_angle_gamma 100.06045
_cell_volume 687.17483
_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
K1 K 0.62839 0.64087 0.78387 1.00000
K2 K 0.95212 0.28479 0.75634 1.00000
K3 K 0.39912 0.87891 0.76044 1.00000
K4 K 0.95929 0.80960 0.23420 1.00000
K5 K 0.58947 0.13307 0.24212 1.00000
K6 K 0.35729 0.37207 0.21745 1.00000
Co1 Co 0.51829 0.27115 0.64691 1.00000
Co2 Co 0.01543 0.76348 0.63293 1.00000
Co3 Co 0.47485 0.73775 0.35175 1.00000
Co4 Co 0.97486 0.24141 0.36812 1.00000
P1 P 0.73236 0.97246 0.56194 1.00000
P2 P 0.23838 0.50551 0.54884 1.00000
P3 P 0.75253 0.50769 0.44870 1.00000
P4 P 0.26272 0.02565 0.43740 1.00000
C1 C 0.00682 0.72996 0.86893 1.00000
C2 C 0.48108 0.24818 0.88227 1.00000
C3 C 0.51741 0.76494 0.12099 1.00000
C4 C 0.98294 0.27323 0.13221 1.00000
O1 O 0.53939 0.78187 0.99974 1.00000
O2 O 0.00141 0.28890 0.01160 1.00000
O3 O 0.60913 0.33319 0.82976 1.00000
O4 O 0.09927 0.84970 0.81194 1.00000
O5 O 0.92717 0.62713 0.77534 1.00000
O6 O 0.37647 0.17743 0.78668 1.00000
O7 O 0.85624 0.89418 0.65651 1.00000
O8 O 0.37615 0.45571 0.63912 1.00000
O9 O 0.66979 0.08768 0.65891 1.00000
O10 O 0.17570 0.62954 0.64368 1.00000
O11 O 0.58804 0.83468 0.51623 1.00000
O12 O 0.69857 0.43131 0.58190 1.00000
O13 O 0.17627 0.93919 0.55521 1.00000
O14 O 0.09757 0.35556 0.52074 1.00000
O15 O 0.89629 0.65427 0.47491 1.00000
O16 O 0.81884 0.05812 0.44296 1.00000
O17 O 0.29421 0.58353 0.41765 1.00000
O18 O 0.40651 0.16290 0.48511 1.00000
O19 O 0.80731 0.37656 0.35684 1.00000
O20 O 0.61241 0.55898 0.35907 1.00000
O21 O 0.32954 0.91200 0.33940 1.00000
O22 O 0.13982 0.10426 0.34251 1.00000
O23 O 0.61791 0.83860 0.21980 1.00000
O24 O 0.05793 0.37805 0.22520 1.00000
O25 O 0.89259 0.15066 0.18855 1.00000
O26 O 0.39195 0.67386 0.17133 1.00000
O27 O 0.98953 0.71324 0.98965 1.00000
O28 O 0.46271 0.23607 0.00425 1.00000
