K
Alexandria ALEXAlex-ID: agm027596680 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A_906_spg187
K
2025-01-14 18:26:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm027596680).
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 agm027596680
data_agm027596680
_cell_length_a 12.09046
_cell_length_b 12.09046
_cell_length_c 6.63815
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 119.07768
_cell_volume 848.05726
_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 0.00063 0.99937 0.00000 1.00000
K2 K 0.46440 0.93412 0.00000 1.00000
K3 K 0.80461 0.19539 0.50000 1.00000
K4 K 0.06588 0.53560 0.00000 1.00000
K5 K 0.46575 0.53425 0.00000 1.00000
K6 K 0.39843 0.19810 0.50000 1.00000
K7 K 0.80190 0.60157 0.50000 1.00000
K8 K 0.20134 0.40329 0.50000 1.00000
K9 K 0.20015 0.79985 0.50000 1.00000
K10 K 0.59671 0.79866 0.50000 1.00000
K11 K 0.66784 0.33216 0.00000 1.00000
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