InGaH6
Alexandria ALEXAlex-ID: agm076154569 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_229_spg148
GaH6 Ga InH2
2025-06-13 14:09:16
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm076154569).
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 agm076154569
data_agm076154569
_cell_length_a 5.18183
_cell_length_b 5.50157
_cell_length_c 5.22349
_cell_angle_alpha 61.65338
_cell_angle_beta 59.84383
_cell_angle_gamma 65.17458
_cell_volume 110.05489
_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
In1 In 0.38115 0.23342 0.19306 1.00000
Ga1 Ga 0.60336 0.72417 0.83616 1.00000
H1 H 0.48797 0.53331 0.75396 1.00000
H2 H 0.48755 0.53405 0.22465 1.00000
H3 H 0.71967 0.97591 0.15257 1.00000
H4 H 0.37194 0.02754 0.79903 1.00000
H5 H 0.95670 0.67823 0.68349 1.00000
H6 H 0.99166 0.29339 0.35707 1.00000
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