K3Ce(SO4)3
Alexandria ALEXAlex-ID: agm020570409 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3D12_9_spg9
K3Ce(SO4)3
2024-10-25 01:37:58.180609
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020570409).
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 agm020570409
data_agm020570409
_cell_length_a 9.38118
_cell_length_b 9.38118
_cell_length_c 9.36330
_cell_angle_alpha 71.17093
_cell_angle_beta 71.17093
_cell_angle_gamma 110.58084
_cell_volume 635.55510
_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 0.18429 0.15422 0.38970 1.00000
K2 K 0.15422 0.18429 0.88970 1.00000
K3 K 0.54809 0.06095 0.14224 1.00000
K4 K 0.06095 0.54809 0.64224 1.00000
K5 K 0.70190 0.83400 0.46786 1.00000
K6 K 0.83400 0.70190 0.96786 1.00000
Ce1 Ce 0.65720 0.34271 0.49223 1.00000
Ce2 Ce 0.34271 0.65720 0.99223 1.00000
S1 S 0.96396 0.34517 0.13931 1.00000
S2 S 0.34517 0.96396 0.63931 1.00000
S3 S 0.06247 0.78036 0.26133 1.00000
S4 S 0.78036 0.06247 0.76133 1.00000
S5 S 0.43219 0.55284 0.36684 1.00000
S6 S 0.55284 0.43219 0.86684 1.00000
O1 O 0.83543 0.40274 0.19642 1.00000
O2 O 0.40274 0.83543 0.69642 1.00000
O3 O 0.41015 0.54914 0.21563 1.00000
O4 O 0.54914 0.41015 0.71563 1.00000
O5 O 0.87230 0.16372 0.17634 1.00000
O6 O 0.16372 0.87230 0.67634 1.00000
O7 O 0.60461 0.56008 0.33319 1.00000
O8 O 0.56008 0.60461 0.83319 1.00000
O9 O 0.92178 0.59766 0.40793 1.00000
O10 O 0.59766 0.92178 0.90793 1.00000
O11 O 0.46916 0.09256 0.44888 1.00000
O12 O 0.09256 0.46916 0.94888 1.00000
O13 O 0.07160 0.36672 0.22817 1.00000
O14 O 0.36672 0.07160 0.72817 1.00000
O15 O 0.15577 0.87440 0.33116 1.00000
O16 O 0.87440 0.15577 0.83116 1.00000
O17 O 0.98294 0.86729 0.18154 1.00000
O18 O 0.86729 0.98294 0.68154 1.00000
O19 O 0.76375 0.18815 0.62799 1.00000
O20 O 0.18815 0.76375 0.12799 1.00000
O21 O 0.44157 0.70993 0.37535 1.00000
O22 O 0.70993 0.44157 0.87535 1.00000
O23 O 0.28836 0.38985 0.52787 1.00000
O24 O 0.38985 0.28836 0.02787 1.00000
