KMg3H8
Alexandria ALEXAlex-ID: agm007441346 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_96_spg8
MgH6 K4Mg3H10 MgH2
2025-04-28 18:26:36
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007441346).
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 agm007441346
data_agm007441346
_cell_length_a 4.94881
_cell_length_b 5.60209
_cell_length_c 6.38647
_cell_angle_alpha 105.62498
_cell_angle_beta 90.37472
_cell_angle_gamma 116.08892
_cell_volume 151.53285
_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 0.50000 0.00000 0.50000 1.00000
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
Mg2 Mg 0.29435 0.59038 0.89903 1.00000
Mg3 Mg 0.70565 0.40962 0.10097 1.00000
H1 H 0.36399 0.26043 0.86035 1.00000
H2 H 0.64074 0.76717 0.76846 1.00000
H3 H 0.89559 0.26060 0.86136 1.00000
H4 H 0.63601 0.73957 0.13965 1.00000
H5 H 0.10441 0.73940 0.13864 1.00000
H6 H 0.35926 0.23283 0.23154 1.00000
H7 H 0.87982 0.23511 0.23357 1.00000
H8 H 0.12018 0.76489 0.76643 1.00000
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