Hf5Sc3Cu
Alexandria ALEXAlex-ID: agm072407083 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1197_spg6
Hf5Sc Sc2Cu
2024-09-24 20:34:31.164055
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072407083).
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 agm072407083
data_agm072407083
_cell_length_a 5.97214
_cell_length_b 5.79708
_cell_length_c 5.73730
_cell_angle_alpha 97.32547
_cell_angle_beta 90.94973
_cell_angle_gamma 98.40923
_cell_volume 194.76616
_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 0.43505 0.84689 0.77826 1.00000
Hf2 Hf 0.81119 0.16279 0.14544 1.00000
Hf3 Hf 0.53607 0.63717 0.22579 1.00000
Hf4 Hf 0.32786 0.10794 0.29859 1.00000
Hf5 Hf 0.02309 0.69372 0.07415 1.00000
Sc1 Sc 0.70440 0.37233 0.67269 1.00000
Sc2 Sc 0.21872 0.30940 0.83084 1.00000
Sc3 Sc 0.92310 0.88581 0.58641 1.00000
Cu1 Cu 0.13572 0.50501 0.45414 1.00000
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