K4GaO2
Alexandria ALEXAlex-ID: agm096496352 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_6194_spg38
K3GaO3 K2Ga3 K
2025-04-11 10:39:00
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096496352).
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 agm096496352
data_agm096496352
_cell_length_a 4.53236
_cell_length_b 5.20544
_cell_length_c 8.60355
_cell_angle_alpha 84.75502
_cell_angle_beta 90.10359
_cell_angle_gamma 89.86004
_cell_volume 202.13206
_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 0.21578 0.45418 0.23808 1.00000
K2 K 0.21308 0.08400 0.67379 1.00000
K3 K 0.71557 0.81679 0.42810 1.00000
K4 K 0.70946 0.53522 0.76189 1.00000
Ga1 Ga 0.71609 0.98598 0.03858 1.00000
O1 O 0.71387 0.02640 0.82801 1.00000
O2 O 0.21614 0.59743 0.53154 1.00000
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