Tb2VN4
Alexandria ALEXAlex-ID: agm003449358 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_1153_spg11
TbN6 Tb3(VN3)2 TbN
2022-02-18 08:41:40.623078
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003449358).
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 agm003449358
data_agm003449358
_cell_length_a 5.67485
_cell_length_b 5.66269
_cell_length_c 6.62150
_cell_angle_alpha 90.00000
_cell_angle_beta 108.02005
_cell_angle_gamma 90.00000
_cell_volume 202.34405
_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 0.68299 0.75000 0.03464 1.00000
Tb2 Tb 0.31701 0.25000 0.96536 1.00000
Tb3 Tb 0.24037 0.25000 0.44052 1.00000
Tb4 Tb 0.75963 0.75000 0.55948 1.00000
V1 V 0.23636 0.75000 0.19537 1.00000
V2 V 0.76364 0.25000 0.80463 1.00000
N1 N 0.45605 0.50949 0.25190 1.00000
N2 N 0.04945 0.75000 0.91892 1.00000
N3 N 0.95055 0.25000 0.08108 1.00000
N4 N 0.45605 0.99051 0.25190 1.00000
N5 N 0.97422 0.25000 0.64986 1.00000
N6 N 0.54395 0.00949 0.74810 1.00000
N7 N 0.54395 0.49051 0.74810 1.00000
N8 N 0.02578 0.75000 0.35014 1.00000
Get direct link