RbMg3H8
Alexandria ALEXAlex-ID: agm007441547 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_174_spg2
MgH6 RbMgH3 MgH2
2024-02-08 10:01:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007441547).
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 agm007441547
data_agm007441547
_cell_length_a 4.96539
_cell_length_b 5.57327
_cell_length_c 6.80555
_cell_angle_alpha 105.89227
_cell_angle_beta 90.66616
_cell_angle_gamma 116.26363
_cell_volume 160.49845
_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
Rb1 Rb 0.50000 0.00000 0.50000 1.00000
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
Mg2 Mg 0.70566 0.40891 0.09301 1.00000
Mg3 Mg 0.29434 0.59109 0.90699 1.00000
H1 H 0.63916 0.74326 0.13172 1.00000
H2 H 0.88459 0.24191 0.22276 1.00000
H3 H 0.10536 0.74298 0.12952 1.00000
H4 H 0.36084 0.25674 0.86828 1.00000
H5 H 0.89464 0.25702 0.87048 1.00000
H6 H 0.11541 0.75809 0.77724 1.00000
H7 H 0.63729 0.75959 0.78001 1.00000
H8 H 0.36271 0.24041 0.21999 1.00000
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