RbMgInH4
Alexandria ALEXAlex-ID: agm006834081 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD4_1397_spg15
RbMgH3 RbH7 MgH6 In
2024-01-27 14:52:50.545472
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006834081).
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 agm006834081
data_agm006834081
_cell_length_a 6.62071
_cell_length_b 6.62071
_cell_length_c 7.60361
_cell_angle_alpha 69.43447
_cell_angle_beta 69.43447
_cell_angle_gamma 114.26766
_cell_volume 231.59937
_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 0.12957 0.87043 0.75000 1.00000
Rb2 Rb 0.87043 0.12957 0.25000 1.00000
Mg1 Mg 0.47711 0.52289 0.75000 1.00000
Mg2 Mg 0.52289 0.47711 0.25000 1.00000
In1 In 0.50000 0.00000 0.00000 1.00000
In2 In 0.00000 0.50000 0.50000 1.00000
H1 H 0.60264 0.32488 0.08557 1.00000
H2 H 0.67512 0.39736 0.41443 1.00000
H3 H 0.15163 0.27836 0.43503 1.00000
H4 H 0.72164 0.84837 0.06497 1.00000
H5 H 0.84837 0.72164 0.56497 1.00000
H6 H 0.27836 0.15163 0.93503 1.00000
H7 H 0.39736 0.67512 0.91443 1.00000
H8 H 0.32488 0.60264 0.58557 1.00000
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