Ho2Ta3VN6
Alexandria ALEXAlex-ID: agm052368340 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_1_spg12
HoTaN2 TaN VN
2024-10-22 16:47:15.130146
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm052368340).
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 agm052368340
data_agm052368340
_cell_length_a 5.52285
_cell_length_b 5.52285
_cell_length_c 5.59020
_cell_angle_alpha 81.06696
_cell_angle_beta 81.06696
_cell_angle_gamma 120.18592
_cell_volume 140.06000
_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
Ho1 Ho 0.66754 0.33246 0.50000 1.00000
Ho2 Ho 0.33246 0.66754 0.50000 1.00000
Ta1 Ta 0.85124 0.14876 0.00000 1.00000
Ta2 Ta 0.14876 0.85124 0.00000 1.00000
Ta3 Ta 0.50000 0.50000 0.00000 1.00000
V1 V 0.00000 0.00000 0.50000 1.00000
N1 N 0.58620 0.91054 0.77304 1.00000
N2 N 0.75979 0.75979 0.24600 1.00000
N3 N 0.41380 0.08946 0.22696 1.00000
N4 N 0.91054 0.58620 0.77304 1.00000
N5 N 0.24021 0.24021 0.75400 1.00000
N6 N 0.08946 0.41380 0.22696 1.00000
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