K
Alexandria ALEXAlex-ID: agm014720641 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A_1070_spg12
K
2025-01-14 18:43:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014720641).
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
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# CIF generated by HEAS from Alexandria entry agm014720641
data_agm014720641
_cell_length_a 12.17531
_cell_length_b 12.17531
_cell_length_c 8.82372
_cell_angle_alpha 80.86715
_cell_angle_beta 99.13285
_cell_angle_gamma 39.86805
_cell_volume 742.05787
_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 0.78124 0.55865 0.32134 1.00000
K2 K 0.44135 0.21876 0.32134 1.00000
K3 K 0.46003 0.87995 0.67785 1.00000
K4 K 0.12005 0.53997 0.67785 1.00000
K5 K 0.11922 0.21793 0.99955 1.00000
K6 K 0.17842 0.82158 0.45531 1.00000
K7 K 0.72367 0.27633 0.54557 1.00000
K8 K 0.78207 0.88078 0.99955 1.00000
K9 K 0.68310 0.31690 0.00082 1.00000
K10 K 0.21890 0.78110 0.00011 1.00000
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