KHo(GaBr3)2
Alexandria ALEXAlex-ID: agm004955331 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_266_spg146
KGaBr3 HoBr3 Ga
2022-07-24 00:29:26.091581
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004955331).
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 agm004955331
data_agm004955331
_cell_length_a 7.82788
_cell_length_b 7.82816
_cell_length_c 8.28988
_cell_angle_alpha 61.79373
_cell_angle_beta 61.79210
_cell_angle_gamma 59.95061
_cell_volume 368.48455
_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 0.81510 0.81532 0.55424 1.00000
Ho1 Ho 0.32456 0.32454 0.02626 1.00000
Ga1 Ga 0.51634 0.51625 0.45136 1.00000
Ga2 Ga 0.01027 0.01042 0.96895 1.00000
Br1 Br 0.56827 0.22780 0.23785 1.00000
Br2 Br 0.22774 0.96591 0.23801 1.00000
Br3 Br 0.96582 0.56873 0.23778 1.00000
Br4 Br 0.39759 0.69750 0.76668 1.00000
Br5 Br 0.69792 0.13752 0.76709 1.00000
Br6 Br 0.13799 0.39763 0.76699 1.00000
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