KLiCO3
Alexandria ALEXAlex-ID: agm005284420 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_154_spg14
KLiCO3
2022-12-12 22:56:41.667401
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005284420).
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 agm005284420
data_agm005284420
_cell_length_a 7.33392
_cell_length_b 6.91084
_cell_length_c 7.85840
_cell_angle_alpha 58.75127
_cell_angle_beta 89.99843
_cell_angle_gamma 90.00005
_cell_volume 340.50894
_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 0.68079 0.14391 0.63844 1.00000
K2 K 0.18080 0.85609 0.86157 1.00000
K3 K 0.31920 0.85609 0.36157 1.00000
K4 K 0.81921 0.14391 0.13843 1.00000
Li1 Li 0.44821 0.41494 0.20127 1.00000
Li2 Li 0.55180 0.58506 0.79874 1.00000
Li3 Li 0.94821 0.58505 0.29873 1.00000
Li4 Li 0.05180 0.41495 0.70127 1.00000
C1 C 0.30196 0.31619 0.92867 1.00000
C2 C 0.69804 0.68382 0.07132 1.00000
C3 C 0.80196 0.68381 0.57133 1.00000
C4 C 0.19805 0.31618 0.42867 1.00000
O1 O 0.29378 0.51320 0.76091 1.00000
O2 O 0.70621 0.48680 0.23909 1.00000
O3 O 0.44673 0.26823 0.03957 1.00000
O4 O 0.20622 0.51320 0.26091 1.00000
O5 O 0.79379 0.48680 0.73909 1.00000
O6 O 0.33315 0.17704 0.47787 1.00000
O7 O 0.16688 0.17704 0.97787 1.00000
O8 O 0.05327 0.26824 0.53956 1.00000
O9 O 0.55326 0.73178 0.96043 1.00000
O10 O 0.83314 0.82295 0.02213 1.00000
O11 O 0.94675 0.73177 0.46044 1.00000
O12 O 0.66686 0.82295 0.52214 1.00000
