TbWN2
Alexandria ALEXAlex-ID: agm005803072 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_7608_spg62
TbWN2
2023-07-13 03:21:33.882431
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005803072).
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 agm005803072
data_agm005803072
_cell_length_a 3.22376
_cell_length_b 5.74527
_cell_length_c 10.58700
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 196.08610
_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 0.75000 0.07924 0.14508 1.00000
Tb2 Tb 0.25000 0.92076 0.85492 1.00000
Tb3 Tb 0.75000 0.57924 0.35492 1.00000
Tb4 Tb 0.25000 0.42076 0.64508 1.00000
W1 W 0.25000 0.56596 0.09510 1.00000
W2 W 0.25000 0.06596 0.40490 1.00000
W3 W 0.75000 0.43404 0.90490 1.00000
W4 W 0.75000 0.93404 0.59510 1.00000
N1 N 0.75000 0.25882 0.49214 1.00000
N2 N 0.25000 0.74118 0.50786 1.00000
N3 N 0.75000 0.75882 0.00786 1.00000
N4 N 0.25000 0.24118 0.99214 1.00000
N5 N 0.75000 0.16553 0.75023 1.00000
N6 N 0.25000 0.33447 0.25023 1.00000
N7 N 0.75000 0.66553 0.74977 1.00000
N8 N 0.25000 0.83447 0.24976 1.00000
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