TaW2N
Alexandria ALEXAlex-ID: agm002107697 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_4398_spg1
W TaN
2021-11-12 10:48:55.112366
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002107697).
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 agm002107697
data_agm002107697
_cell_length_a 4.99533
_cell_length_b 5.11854
_cell_length_c 5.12513
_cell_angle_alpha 82.82130
_cell_angle_beta 61.26880
_cell_angle_gamma 74.71045
_cell_volume 110.84238
_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
Ta1 Ta 0.56691 0.23932 0.82708 1.00000
Ta2 Ta 0.43309 0.76068 0.17292 1.00000
W1 W 0.10221 0.77556 0.82344 1.00000
W2 W 0.89779 0.22444 0.17656 1.00000
W3 W 0.24143 0.25890 0.50313 1.00000
W4 W 0.75857 0.74110 0.49687 1.00000
N1 N 0.16293 0.50138 0.15480 1.00000
N2 N 0.83707 0.49862 0.84520 1.00000
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