K2Sc
Alexandria ALEXAlex-ID: agm005442173 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_2209_spg12
Sc K
2023-03-21 08:19:20.584683
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005442173).
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 agm005442173
data_agm005442173
_cell_length_a 10.04971
_cell_length_b 10.04971
_cell_length_c 8.64044
_cell_angle_alpha 74.42808
_cell_angle_beta 74.42808
_cell_angle_gamma 21.35576
_cell_volume 305.69684
_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 0.82998 0.82998 0.11890 1.00000
K2 K 0.11743 0.11743 0.43024 1.00000
K3 K 0.17002 0.17002 0.88110 1.00000
K4 K 0.88257 0.88257 0.56976 1.00000
Sc1 Sc 0.49641 0.49641 0.84008 1.00000
Sc2 Sc 0.50359 0.50359 0.15992 1.00000
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