KCe(BO3)2
Alexandria ALEXAlex-ID: agm004944690 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_120_spg15
K2B4O7 K5B19O31 CeO2 KO12
2022-07-17 21:23:08.680196
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004944690).
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 agm004944690
data_agm004944690
_cell_length_a 6.55566
_cell_length_b 6.55566
_cell_length_c 7.17739
_cell_angle_alpha 102.27500
_cell_angle_beta 102.27500
_cell_angle_gamma 100.28904
_cell_volume 286.31170
_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 0.12620 0.87380 0.25000 1.00000
K2 K 0.87380 0.12620 0.75000 1.00000
Ce1 Ce 0.59915 0.40085 0.25000 1.00000
Ce2 Ce 0.40085 0.59915 0.75000 1.00000
B1 B 0.39483 0.14624 0.75907 1.00000
B2 B 0.85376 0.60517 0.74093 1.00000
B3 B 0.60517 0.85376 0.24093 1.00000
B4 B 0.14624 0.39483 0.25907 1.00000
O1 O 0.93742 0.40979 0.22474 1.00000
O2 O 0.59021 0.06258 0.27526 1.00000
O3 O 0.06258 0.59021 0.77526 1.00000
O4 O 0.40979 0.93742 0.72474 1.00000
O5 O 0.22003 0.24805 0.14135 1.00000
O6 O 0.75195 0.77997 0.35865 1.00000
O7 O 0.77997 0.75195 0.85865 1.00000
O8 O 0.24805 0.22003 0.64135 1.00000
O9 O 0.30341 0.54355 0.41427 1.00000
O10 O 0.45645 0.69659 0.08573 1.00000
O11 O 0.69659 0.45645 0.58573 1.00000
O12 O 0.54355 0.30341 0.91427 1.00000
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