Hf2ZrOs
Alexandria ALEXAlex-ID: agm002906332 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_185_spg122
HfZr2 Hf HfOs
2017-01-26 21:50:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002906332).
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 agm002906332
data_agm002906332
_cell_length_a 7.79299
_cell_length_b 7.79299
_cell_length_c 6.22105
_cell_angle_alpha 51.21935
_cell_angle_beta 51.21935
_cell_angle_gamma 90.00000
_cell_volume 175.34331
_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 0.67814 0.12500 0.25000 1.00000
Hf2 Hf 0.07186 0.62500 0.25000 1.00000
Hf3 Hf 0.37500 0.32186 0.75000 1.00000
Hf4 Hf 0.87500 0.92814 0.75000 1.00000
Os1 Os 0.00000 0.00000 0.00000 1.00000
Os2 Os 0.75000 0.25000 0.50000 1.00000
Zr1 Zr 0.50000 0.50000 0.00000 1.00000
Zr2 Zr 0.25000 0.75000 0.50000 1.00000
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