K3Cd2O4
Alexandria ALEXAlex-ID: agm005658429 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_18_spg15
K2Cd2O3 K5O6 K2CdO2
2023-06-27 20:10:20.810332
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005658429).
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 agm005658429
data_agm005658429
_cell_length_a 6.19224
_cell_length_b 7.64242
_cell_length_c 7.64242
_cell_angle_alpha 78.26905
_cell_angle_beta 89.69210
_cell_angle_gamma 89.69211
_cell_volume 354.10511
_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 0.95229 0.96387 0.25560 1.00000
K2 K 0.54771 0.74440 0.03613 1.00000
K3 K 0.04771 0.03613 0.74440 1.00000
K4 K 0.45229 0.25560 0.96387 1.00000
K5 K 0.25000 0.60305 0.39695 1.00000
K6 K 0.75000 0.39695 0.60305 1.00000
Cd1 Cd 0.40184 0.17643 0.40666 1.00000
Cd2 Cd 0.09816 0.59334 0.82357 1.00000
Cd3 Cd 0.59816 0.82357 0.59334 1.00000
Cd4 Cd 0.90184 0.40666 0.17643 1.00000
O1 O 0.49503 0.93451 0.30681 1.00000
O2 O 0.00497 0.69319 0.06549 1.00000
O3 O 0.50497 0.06549 0.69319 1.00000
O4 O 0.99503 0.30681 0.93451 1.00000
O5 O 0.06441 0.25874 0.41595 1.00000
O6 O 0.43559 0.58405 0.74126 1.00000
O7 O 0.93559 0.74126 0.58405 1.00000
O8 O 0.56441 0.41595 0.25874 1.00000
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