SmSc(WN3)2
Alexandria ALEXAlex-ID: agm017271020 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_307_spg15
SmSc(WN3)2
2024-12-03 13:14:46
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017271020).
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 agm017271020
data_agm017271020
_cell_length_a 7.12757
_cell_length_b 7.12757
_cell_length_c 6.00413
_cell_angle_alpha 76.27595
_cell_angle_beta 103.72405
_cell_angle_gamma 97.87731
_cell_volume 286.79831
_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
Sm1 Sm 0.69517 0.69517 0.25000 1.00000
Sm2 Sm 0.30483 0.30483 0.75000 1.00000
Sc1 Sc 0.08271 0.08271 0.25000 1.00000
Sc2 Sc 0.91729 0.91729 0.75000 1.00000
W1 W 0.61791 0.19223 0.26486 1.00000
W2 W 0.19223 0.61791 0.23514 1.00000
W3 W 0.38209 0.80777 0.73514 1.00000
W4 W 0.80777 0.38209 0.76486 1.00000
N1 N 0.79257 0.00039 0.36447 1.00000
N2 N 0.00039 0.79257 0.13553 1.00000
N3 N 0.20743 0.99961 0.63553 1.00000
N4 N 0.99961 0.20743 0.86447 1.00000
N5 N 0.37141 0.09487 0.17412 1.00000
N6 N 0.09487 0.37141 0.32588 1.00000
N7 N 0.62859 0.90513 0.82588 1.00000
N8 N 0.90513 0.62859 0.67412 1.00000
N9 N 0.62350 0.34805 0.48769 1.00000
N10 N 0.34805 0.62350 0.01231 1.00000
N11 N 0.37650 0.65195 0.51231 1.00000
N12 N 0.65195 0.37650 0.98769 1.00000
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