K14CdO
Alexandria ALEXAlex-ID: agm005790243 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_102_spg38
K2Cd3 K9O2 K
2023-07-19 04:11:21.337712
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005790243).
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 agm005790243
data_agm005790243
_cell_length_a 9.75344
_cell_length_b 9.75344
_cell_length_c 11.87822
_cell_angle_alpha 90.00001
_cell_angle_beta 89.99999
_cell_angle_gamma 110.77831
_cell_volume 1056.47700
_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 0.10979 0.89021 1.00000 1.00000
K2 K 0.54693 0.45307 0.00000 1.00000
K3 K 0.02096 0.38118 0.50000 1.00000
K4 K 0.03189 0.37375 1.00000 1.00000
K5 K 0.61882 0.97904 0.50000 1.00000
K6 K 0.62625 0.96811 0.00000 1.00000
K7 K 0.39792 0.18130 0.69724 1.00000
K8 K 0.39792 0.18130 0.30276 1.00000
K9 K 0.81870 0.60208 0.69724 1.00000
K10 K 0.81870 0.60208 0.30276 1.00000
K11 K 0.33150 0.66850 0.73061 1.00000
K12 K 0.33150 0.66850 0.26939 1.00000
K13 K 0.95224 0.04776 0.67788 1.00000
K14 K 0.95224 0.04776 0.32212 1.00000
Cd1 Cd 0.16612 0.83388 0.50000 1.00000
O1 O 0.87854 0.12146 0.50000 1.00000
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