TbHo2Hf3N6
Alexandria ALEXAlex-ID: agm034762013 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_425_spg8
HoHfN2 TbHfN2
2024-12-03 13:00:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034762013).
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 agm034762013
data_agm034762013
_cell_length_a 7.45771
_cell_length_b 7.45771
_cell_length_c 6.67347
_cell_angle_alpha 76.24023
_cell_angle_beta 103.75977
_cell_angle_gamma 154.42889
_cell_volume 155.36644
_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
Tb1 Tb 0.50000 0.50000 0.50000 1.00000
Ho1 Ho 0.16670 0.83330 0.83328 1.00000
Ho2 Ho 0.83330 0.16670 0.16672 1.00000
Hf1 Hf 0.50000 0.50000 0.00000 1.00000
Hf2 Hf 0.16680 0.83320 0.33352 1.00000
Hf3 Hf 0.83320 0.16680 0.66648 1.00000
N1 N 0.67290 0.32710 0.57140 1.00000
N2 N 0.33808 0.66192 0.90398 1.00000
N3 N 0.32710 0.67290 0.42860 1.00000
N4 N 0.00512 0.99488 0.23403 1.00000
N5 N 0.99488 0.00512 0.76597 1.00000
N6 N 0.66192 0.33808 0.09602 1.00000
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