Hf3(NbZn)2
Alexandria ALEXAlex-ID: agm009694512 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_31_spg12
Hf2Nb2Zn Hf3Zn2 HfZn2
2024-04-06 15:00:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009694512).
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 agm009694512
data_agm009694512
_cell_length_a 5.58838
_cell_length_b 5.58838
_cell_length_c 7.06338
_cell_angle_alpha 82.52833
_cell_angle_beta 82.52833
_cell_angle_gamma 37.33210
_cell_volume 132.50703
_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 0.50000 0.50000 0.50000 1.00000
Hf2 Hf 0.63690 0.63690 0.07329 1.00000
Hf3 Hf 0.36310 0.36310 0.92671 1.00000
Nb1 Nb 0.22450 0.22450 0.36033 1.00000
Nb2 Nb 0.77550 0.77550 0.63967 1.00000
Zn1 Zn 0.07691 0.07691 0.77454 1.00000
Zn2 Zn 0.92309 0.92309 0.22546 1.00000
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