HfSc2Ga
Alexandria ALEXAlex-ID: agm005750439 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_2711_spg63
Sc2Ga Sc3Ga2 Hf11Sc
2023-07-13 10:53:20.379268
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005750439).
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 agm005750439
data_agm005750439
_cell_length_a 3.33086
_cell_length_b 4.25736
_cell_length_c 16.80902
_cell_angle_alpha 89.99858
_cell_angle_beta 133.85962
_cell_angle_gamma 90.00018
_cell_volume 171.86935
_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
Hf1 Hf 0.03338 0.75000 0.93817 1.00000
Hf2 Hf 0.96662 0.25000 0.06183 1.00000
Sc1 Sc 0.01547 0.75000 0.64744 1.00000
Sc2 Sc 0.93349 0.75000 0.19527 1.00000
Sc3 Sc 0.98453 0.25000 0.35256 1.00000
Sc4 Sc 0.06651 0.25000 0.80473 1.00000
Ga1 Ga 0.77615 0.75000 0.43587 1.00000
Ga2 Ga 0.22385 0.25000 0.56413 1.00000
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