LiGaH6N
Alexandria ALEXAlex-ID: agm095284412 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_986_spg8
LiH Li2Ga7 H9N H3N
2025-05-28 02:28:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm095284412).
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 agm095284412
data_agm095284412
_cell_length_a 6.08794
_cell_length_b 6.08794
_cell_length_c 6.23264
_cell_angle_alpha 97.07253
_cell_angle_beta 82.92747
_cell_angle_gamma 110.37609
_cell_volume 214.09743
_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
Li1 Li 0.91607 0.08393 0.33516 1.00000
Li2 Li 0.97604 0.02396 0.70893 1.00000
Ga1 Ga 0.69735 0.30265 0.07426 1.00000
Ga2 Ga 0.34899 0.65101 0.65484 1.00000
H1 H 0.41739 0.58261 0.20713 1.00000
H2 H 0.59659 0.16854 0.68299 1.00000
H3 H 0.15500 0.60705 0.26814 1.00000
H4 H 0.56377 0.43623 0.74817 1.00000
H5 H 0.39295 0.84500 0.26814 1.00000
H6 H 0.83146 0.40341 0.68299 1.00000
H7 H 0.82920 0.55748 0.17785 1.00000
H8 H 0.70444 0.91631 0.54143 1.00000
H9 H 0.86278 0.13722 0.05008 1.00000
H10 H 0.08369 0.29556 0.54143 1.00000
H11 H 0.44252 0.17080 0.17785 1.00000
H12 H 0.16645 0.83355 0.69629 1.00000
N1 N 0.66740 0.33260 0.76443 1.00000
N2 N 0.32615 0.67385 0.30632 1.00000
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