KMg8
Alexandria ALEXAlex-ID: agm005501302 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB8_30_spg139
Mg K
2023-03-19 13:43:05.339288
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005501302).
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 agm005501302
data_agm005501302
_cell_length_a 8.64299
_cell_length_b 8.64299
_cell_length_c 8.64299
_cell_angle_alpha 92.05275
_cell_angle_beta 92.05275
_cell_angle_gamma 158.18075
_cell_volume 235.63509
_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 0.00000 0.00000 0.00000 1.00000
Mg1 Mg 0.33219 0.00000 0.33219 1.00000
Mg2 Mg 0.66781 0.00000 0.66781 1.00000
Mg3 Mg 0.00000 0.66781 0.66781 1.00000
Mg4 Mg 0.32148 0.67852 0.00000 1.00000
Mg5 Mg 0.67852 0.67852 0.35705 1.00000
Mg6 Mg 0.00000 0.33219 0.33219 1.00000
Mg7 Mg 0.32148 0.32148 0.64295 1.00000
Mg8 Mg 0.67852 0.32148 0.00000 1.00000
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