Y15Hf4
Alexandria ALEXAlex-ID: agm073024967 · Space group: I-43d (#220)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B15_2_spg220
Hf Y
2024-10-20 07:15:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm073024967).
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 agm073024967
data_agm073024967
_cell_length_a 11.39287
_cell_length_b 11.39287
_cell_length_c 11.39287
_cell_angle_alpha 109.47122
_cell_angle_beta 109.47122
_cell_angle_gamma 109.47122
_cell_volume 1138.35569
_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
Y1 Y 0.69969 0.04311 0.92365 1.00000
Y2 Y 0.75000 0.87500 0.12500 1.00000
Y3 Y 0.15658 0.88054 0.45689 1.00000
Y4 Y 0.72396 0.34342 0.80031 1.00000
Y5 Y 0.57635 0.61946 0.77604 1.00000
Y6 Y 0.22396 0.30031 0.84342 1.00000
Y7 Y 0.80031 0.72396 0.34342 1.00000
Y8 Y 0.38054 0.65658 0.95689 1.00000
Y9 Y 0.07635 0.27604 0.11946 1.00000
Y10 Y 0.92365 0.69969 0.04311 1.00000
Y11 Y 0.45689 0.15658 0.88054 1.00000
Y12 Y 0.30031 0.84342 0.22396 1.00000
Y13 Y 0.12500 0.75000 0.87500 1.00000
Y14 Y 0.34342 0.80031 0.72396 1.00000
Y15 Y 0.37500 0.25000 0.62500 1.00000
Y16 Y 0.11946 0.07635 0.27604 1.00000
Y17 Y 0.95689 0.38054 0.65658 1.00000
Y18 Y 0.42365 0.54311 0.19969 1.00000
Y19 Y 0.65658 0.95689 0.38054 1.00000
Y20 Y 0.62500 0.37500 0.25000 1.00000
Y21 Y 0.04311 0.92365 0.69969 1.00000
Y22 Y 0.88054 0.45689 0.15658 1.00000
Y23 Y 0.84342 0.22396 0.30031 1.00000
Y24 Y 0.77604 0.57635 0.61946 1.00000
Y25 Y 0.54311 0.19969 0.42365 1.00000
Y26 Y 0.61946 0.77604 0.57635 1.00000
Y27 Y 0.19969 0.42365 0.54311 1.00000
Y28 Y 0.25000 0.62500 0.37500 1.00000
Y29 Y 0.27604 0.11946 0.07635 1.00000
Y30 Y 0.87500 0.12500 0.75000 1.00000
Hf1 Hf 0.50000 0.00000 0.57698 1.00000
Hf2 Hf 0.00000 0.57698 0.50000 1.00000
Hf3 Hf 0.50000 0.00000 0.07698 1.00000
Hf4 Hf 0.42302 0.42302 0.42302 1.00000
Hf5 Hf 0.92302 0.92302 0.92302 1.00000
Hf6 Hf 0.00000 0.07698 0.50000 1.00000
Hf7 Hf 0.07698 0.50000 0.00000 1.00000
Hf8 Hf 0.57698 0.50000 0.00000 1.00000
