K2HoGaH8
Alexandria ALEXAlex-ID: agm007429149 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_2281_spg1
KH HoH3 KGaH4
2024-10-15 12:18:55.668161
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007429149).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm007429149
data_agm007429149
_cell_length_a 3.73353
_cell_length_b 6.82109
_cell_length_c 7.16142
_cell_angle_alpha 79.41812
_cell_angle_beta 94.25052
_cell_angle_gamma 90.11497
_cell_volume 178.77084
_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 0.55970 0.30651 0.97768 1.00000
K2 K 0.59483 0.63972 0.34852 1.00000
Ho1 Ho 0.10841 0.12213 0.47746 1.00000
Ga1 Ga 0.86398 0.85399 0.83451 1.00000
H1 H 0.10761 0.84708 0.41150 1.00000
H2 H 0.63974 0.91086 0.62585 1.00000
H3 H 0.64954 0.87305 0.01070 1.00000
H4 H 0.13518 0.04517 0.80368 1.00000
H5 H 0.07744 0.37694 0.24730 1.00000
H6 H 0.06196 0.64410 0.85254 1.00000
H7 H 0.58705 0.10055 0.32251 1.00000
H8 H 0.61457 0.27991 0.58773 1.00000
Get direct link