ScWN3
Alexandria ALEXAlex-ID: agm005239757 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_4727_spg2
ScWN3
2023-05-08 06:15:49.719726
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005239757).
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 agm005239757
data_agm005239757
_cell_length_a 5.70698
_cell_length_b 6.74875
_cell_length_c 8.71108
_cell_angle_alpha 89.93873
_cell_angle_beta 105.73716
_cell_angle_gamma 96.09992
_cell_volume 320.96784
_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
Sc1 Sc 0.24073 0.44438 0.39733 1.00000
Sc2 Sc 0.75927 0.55562 0.60267 1.00000
Sc3 Sc 0.81900 0.71602 0.25327 1.00000
Sc4 Sc 0.18100 0.28398 0.74673 1.00000
W1 W 0.00803 0.12792 0.13753 1.00000
W2 W 0.99197 0.87208 0.86247 1.00000
W3 W 0.68912 0.26440 0.32562 1.00000
W4 W 0.31088 0.73560 0.67438 1.00000
N1 N 0.31794 0.17728 0.27729 1.00000
N2 N 0.68206 0.82272 0.72271 1.00000
N3 N 0.00003 0.82867 0.07626 1.00000
N4 N 0.99997 0.17133 0.92374 1.00000
N5 N 0.74052 0.01308 0.23485 1.00000
N6 N 0.25948 0.98692 0.76515 1.00000
N7 N 0.10532 0.72012 0.46943 1.00000
N8 N 0.89468 0.27988 0.53057 1.00000
N9 N 0.90033 0.39239 0.20349 1.00000
N10 N 0.09967 0.60761 0.79651 1.00000
N11 N 0.57750 0.53799 0.35458 1.00000
N12 N 0.42250 0.46201 0.64542 1.00000
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