K2Ce(AsO3)2
Alexandria ALEXAlex-ID: agm004572016 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_771_spg12
CeO2 KAsO2
2022-06-24 15:23:17.828745
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004572016).
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 agm004572016
data_agm004572016
_cell_length_a 6.01344
_cell_length_b 6.01122
_cell_length_c 7.03022
_cell_angle_alpha 95.80719
_cell_angle_beta 90.00000
_cell_angle_gamma 120.01223
_cell_volume 218.54789
_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 0.81885 0.63769 0.31230 1.00000
K2 K 0.18115 0.36231 0.68770 1.00000
Ce1 Ce 0.50000 0.00000 0.50000 1.00000
As1 As 0.85684 0.71368 0.79791 1.00000
As2 As 0.14316 0.28632 0.20209 1.00000
O1 O 0.69452 0.38904 0.67758 1.00000
O2 O 0.30534 0.15461 0.32397 1.00000
O3 O 0.15074 0.84539 0.67603 1.00000
O4 O 0.69466 0.84539 0.67603 1.00000
O5 O 0.84926 0.15461 0.32397 1.00000
O6 O 0.30548 0.61096 0.32242 1.00000
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