Ho3Sc2Bi3
Alexandria ALEXAlex-ID: agm005577065 · Space group: P6_3/mcm (#193)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_5_spg193
HoScBi HoBi
2023-06-06 05:07:04.468260
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005577065).
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 agm005577065
data_agm005577065
_cell_length_a 6.19682
_cell_length_b 8.95910
_cell_length_c 8.95910
_cell_angle_alpha 120.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 430.75267
_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
Ho1 Ho 0.75000 0.24265 1.00000 1.00000
Ho2 Ho 0.75000 0.75735 0.75735 1.00000
Ho3 Ho 0.75000 0.00000 0.24265 1.00000
Ho4 Ho 0.25000 0.75735 0.00000 1.00000
Ho5 Ho 0.25000 0.24265 0.24265 1.00000
Ho6 Ho 0.25000 0.00000 0.75735 1.00000
Sc1 Sc 0.00000 0.33333 0.66667 1.00000
Sc2 Sc 0.50000 0.66667 0.33333 1.00000
Sc3 Sc 0.00000 0.66667 0.33333 1.00000
Sc4 Sc 0.50000 0.33333 0.66667 1.00000
Bi1 Bi 0.75000 0.60477 0.00000 1.00000
Bi2 Bi 0.75000 0.39523 0.39523 1.00000
Bi3 Bi 0.75000 0.00000 0.60477 1.00000
Bi4 Bi 0.25000 0.39523 1.00000 1.00000
Bi5 Bi 0.25000 0.60477 0.60477 1.00000
Bi6 Bi 0.25000 0.00000 0.39523 1.00000
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