Hf4B2Te
Alexandria ALEXAlex-ID: agm003458680 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_906_spg74
Hf3Te2 HfB2 Hf
2022-02-28 17:00:24.095293
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003458680).
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 agm003458680
data_agm003458680
_cell_length_a 7.19215
_cell_length_b 7.19225
_cell_length_c 7.19405
_cell_angle_alpha 119.93073
_cell_angle_beta 109.07498
_cell_angle_gamma 100.02308
_cell_volume 277.77954
_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 0.87290 0.16892 0.29610 1.00000
Hf2 Hf 0.37712 0.58109 0.20392 1.00000
Hf3 Hf 0.87283 0.57680 0.70391 1.00000
Hf4 Hf 0.79947 0.12061 0.67867 1.00000
Hf5 Hf 0.44193 0.12079 0.32131 1.00000
Hf6 Hf 0.37716 0.17320 0.79608 1.00000
Hf7 Hf 0.45053 0.62941 0.82134 1.00000
Hf8 Hf 0.80807 0.62919 0.17867 1.00000
B1 B 0.62499 0.37500 0.74999 1.00000
B2 B 0.62501 0.87500 0.25000 1.00000
B3 B 0.62500 0.37499 0.24999 1.00000
B4 B 0.12500 0.37501 0.75001 1.00000
Te1 Te 0.17276 0.67276 0.50001 1.00000
Te2 Te 0.07724 0.07724 0.99999 1.00000
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