KGa2H7
Alexandria ALEXAlex-ID: agm006201115 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_560_spg12
GaH6 KGaH4 Ga
2023-12-31 17:52:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201115).
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 agm006201115
data_agm006201115
_cell_length_a 4.70214
_cell_length_b 6.00360
_cell_length_c 7.10753
_cell_angle_alpha 103.75710
_cell_angle_beta 67.12118
_cell_angle_gamma 128.24704
_cell_volume 145.17777
_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
H1 H 0.60874 0.79425 0.11227 1.00000
H2 H 0.34136 0.92319 0.88046 1.00000
H3 H 0.07946 0.04784 0.67688 1.00000
H4 H 0.15161 0.20449 0.26558 1.00000
H5 H 0.46709 0.84771 0.49698 1.00000
H6 H 0.86896 0.66269 0.31208 1.00000
H7 H 0.78849 0.50775 0.73524 1.00000
K1 K 0.98124 0.35815 0.99482 1.00000
Ga1 Ga 0.13568 0.83327 0.71474 1.00000
Ga2 Ga 0.80977 0.87804 0.27909 1.00000
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