Hf3B4
Alexandria ALEXAlex-ID: agm002137366 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4_53_spg71
HfB2 Hf
2018-05-27 03:15:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002137366).
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 agm002137366
data_agm002137366
_cell_length_a 3.18325
_cell_length_b 3.50761
_cell_length_c 7.70787
_cell_angle_alpha 103.17078
_cell_angle_beta 101.92610
_cell_angle_gamma 89.98928
_cell_volume 81.89081
_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
B1 B 0.93733 0.43727 0.87459 1.00000
B2 B 0.06267 0.56273 0.12541 1.00000
B3 B 0.37272 0.37230 0.74512 1.00000
B4 B 0.62728 0.62770 0.25488 1.00000
Hf1 Hf 0.18293 0.18366 0.36658 1.00000
Hf2 Hf 0.81707 0.81634 0.63342 1.00000
Hf3 Hf 0.50000 0.00000 0.00000 1.00000
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