Hf4Zr3Sb4
Alexandria ALEXAlex-ID: agm003379441 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_59_spg38
HfZrSb HfSb
2022-02-09 08:06:02.514835
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003379441).
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 agm003379441
data_agm003379441
_cell_length_a 3.89021
_cell_length_b 7.33274
_cell_length_c 9.36882
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.38261
_cell_volume 257.68012
_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 0.60716 0.21433 0.50000 1.00000
Hf2 Hf 0.58761 0.17523 0.00000 1.00000
Hf3 Hf 0.08281 0.16561 0.75413 1.00000
Hf4 Hf 0.08281 0.16561 0.24587 1.00000
Zr1 Zr 0.40532 0.81065 0.27299 1.00000
Zr2 Zr 0.40532 0.81065 0.72701 1.00000
Zr3 Zr 0.26499 0.52998 0.00000 1.00000
Sb1 Sb 0.74036 0.48072 0.75089 1.00000
Sb2 Sb 0.74036 0.48072 0.24911 1.00000
Sb3 Sb 0.95166 0.90333 0.50000 1.00000
Sb4 Sb 0.93008 0.86015 0.00000 1.00000
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