KGa2H9
Alexandria ALEXAlex-ID: agm101746594 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9_1026_spg1
GaH6 KGaH4 Ga
2025-05-28 23:21:03
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101746594).
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 agm101746594
data_agm101746594
_cell_length_a 5.40319
_cell_length_b 4.99777
_cell_length_c 6.68818
_cell_angle_alpha 77.79248
_cell_angle_beta 73.19542
_cell_angle_gamma 87.82985
_cell_volume 168.93271
_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
K1 K 0.89264 0.05524 0.96766 1.00000
Ga1 Ga 0.45490 0.53188 0.79142 1.00000
Ga2 Ga 0.92240 0.52913 0.40450 1.00000
H1 H 0.60153 0.57420 0.52480 1.00000
H2 H 0.03806 0.82988 0.34451 1.00000
H3 H 0.20714 0.70176 0.78475 1.00000
H4 H 0.40890 0.21039 0.86864 1.00000
H5 H 0.02427 0.30936 0.56338 1.00000
H6 H 0.50322 0.14461 0.33104 1.00000
H7 H 0.40856 0.04241 0.32392 1.00000
H8 H 0.88500 0.43216 0.20404 1.00000
H9 H 0.65338 0.63898 0.89136 1.00000
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