Hf4Zr4Sc3
Alexandria ALEXAlex-ID: agm009769918 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_25_spg71
ZrSc2 Hf5Sc HfZr4Sc
2024-06-05 17:07:43.811133
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009769918).
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 agm009769918
data_agm009769918
_cell_length_a 16.09356
_cell_length_b 16.09356
_cell_length_c 3.16219
_cell_angle_alpha 84.37454
_cell_angle_beta 84.37454
_cell_angle_gamma 18.04260
_cell_volume 252.41629
_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 0.73386 0.73386 0.26572 1.00000
Hf2 Hf 0.90929 0.90929 0.59031 1.00000
Hf3 Hf 0.09071 0.09071 0.40969 1.00000
Hf4 Hf 0.26614 0.26614 0.73428 1.00000
Zr1 Zr 0.18194 0.18194 0.31863 1.00000
Zr2 Zr 0.54680 0.54680 0.45327 1.00000
Zr3 Zr 0.45320 0.45320 0.54673 1.00000
Zr4 Zr 0.81806 0.81806 0.68137 1.00000
Sc1 Sc 0.63568 0.63568 0.86468 1.00000
Sc2 Sc 0.36432 0.36432 0.13532 1.00000
Sc3 Sc 0.00000 0.00000 0.00000 1.00000
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