K4CO6
Alexandria ALEXAlex-ID: agm005508614 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C6_194_spg1
K2O3 K2CO3
2023-03-15 12:42:11.361951
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005508614).
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 agm005508614
data_agm005508614
_cell_length_a 5.46344
_cell_length_b 5.75750
_cell_length_c 7.07136
_cell_angle_alpha 94.72522
_cell_angle_beta 98.18915
_cell_angle_gamma 114.97685
_cell_volume 197.04262
_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 0.69477 0.42780 0.76899 1.00000
K2 K 0.05133 0.05165 0.00526 1.00000
K3 K 0.04891 0.11082 0.49449 1.00000
K4 K 0.36853 0.71395 0.20642 1.00000
C1 C 0.70552 0.40473 0.25102 1.00000
O1 O 0.78611 0.23378 0.19123 1.00000
O2 O 0.35938 0.81373 0.71080 1.00000
O3 O 0.20690 0.43392 0.83067 1.00000
O4 O 0.83681 0.64663 0.22673 1.00000
O5 O 0.49031 0.33228 0.33285 1.00000
O6 O 0.61362 0.90639 0.67604 1.00000
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