Na2MgInH6
Alexandria ALEXAlex-ID: agm007393602 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_2189_spg2
NaMgH3 NaH7 NaH In
2024-02-09 12:20:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007393602).
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 agm007393602
data_agm007393602
_cell_length_a 5.15189
_cell_length_b 5.58246
_cell_length_c 6.84572
_cell_angle_alpha 134.19375
_cell_angle_beta 82.93930
_cell_angle_gamma 103.15293
_cell_volume 137.28041
_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
Na1 Na 0.02144 0.72552 0.55380 1.00000
Na2 Na 0.88821 0.68451 0.06129 1.00000
Mg1 Mg 0.40586 0.27369 0.56611 1.00000
In1 In 0.48677 0.07878 0.01874 1.00000
H1 H 0.70186 0.64607 0.75168 1.00000
H2 H 0.45426 0.18012 0.79538 1.00000
H3 H 0.03928 0.11160 0.53338 1.00000
H4 H 0.33832 0.41744 0.36752 1.00000
H5 H 0.50642 0.90209 0.21379 1.00000
H6 H 0.83438 0.31858 0.12311 1.00000
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