K2CeAsCO7
Alexandria ALEXAlex-ID: agm010895602 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2E7_105_spg2
KCe2(AsO4)3 K5As3O10 K5Ce(CO3)4 CeO2 As2O3
2025-02-28 12:57:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010895602).
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 agm010895602
data_agm010895602
_cell_length_a 5.80475
_cell_length_b 7.59011
_cell_length_c 10.27737
_cell_angle_alpha 90.00000
_cell_angle_beta 89.45857
_cell_angle_gamma 90.00000
_cell_volume 452.78716
_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 0.74655 0.98993 0.20490 1.00000
K2 K 0.74655 0.51007 0.20490 1.00000
K3 K 0.25345 0.01007 0.79510 1.00000
K4 K 0.25345 0.48993 0.79510 1.00000
Ce1 Ce 0.20688 0.25000 0.37756 1.00000
Ce2 Ce 0.79312 0.75000 0.62244 1.00000
As1 As 0.29449 0.75000 0.42257 1.00000
As2 As 0.70551 0.25000 0.57743 1.00000
C1 C 0.25601 0.25000 0.09871 1.00000
C2 C 0.74399 0.75000 0.90129 1.00000
O1 O 0.71479 0.75000 0.02312 1.00000
O2 O 0.05112 0.25000 0.15491 1.00000
O3 O 0.43183 0.25000 0.18041 1.00000
O4 O 0.19275 0.56249 0.34901 1.00000
O5 O 0.19275 0.93751 0.34901 1.00000
O6 O 0.79504 0.25000 0.41571 1.00000
O7 O 0.59314 0.75000 0.41914 1.00000
O8 O 0.40686 0.25000 0.58086 1.00000
O9 O 0.20496 0.75000 0.58429 1.00000
O10 O 0.80725 0.06249 0.65099 1.00000
O11 O 0.80725 0.43751 0.65099 1.00000
O12 O 0.56817 0.75000 0.81959 1.00000
O13 O 0.94888 0.75000 0.84509 1.00000
O14 O 0.28521 0.25000 0.97688 1.00000
