SmEr(WN3)2
Alexandria ALEXAlex-ID: agm016941102 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_262_spg15
SmEr(WN3)2
2024-11-17 06:12:43.278677
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm016941102).
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 agm016941102
data_agm016941102
_cell_length_a 7.27676
_cell_length_b 7.27676
_cell_length_c 6.21577
_cell_angle_alpha 75.29398
_cell_angle_beta 75.29398
_cell_angle_gamma 82.53536
_cell_volume 307.16699
_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 0.30079 0.69921 0.75000 1.00000
Sm2 Sm 0.69921 0.30079 0.25000 1.00000
Er1 Er 0.91273 0.08727 0.75000 1.00000
Er2 Er 0.08727 0.91273 0.25000 1.00000
W1 W 0.80183 0.61847 0.75238 1.00000
W2 W 0.38153 0.19817 0.74762 1.00000
W3 W 0.19817 0.38153 0.24762 1.00000
W4 W 0.61847 0.80183 0.25238 1.00000
N1 N 0.99828 0.78382 0.64615 1.00000
N2 N 0.21618 0.00172 0.85385 1.00000
N3 N 0.00172 0.21618 0.35385 1.00000
N4 N 0.78382 0.99828 0.14615 1.00000
N5 N 0.89439 0.37611 0.83909 1.00000
N6 N 0.62389 0.10561 0.66091 1.00000
N7 N 0.10561 0.62389 0.16091 1.00000
N8 N 0.37611 0.89439 0.33909 1.00000
N9 N 0.65025 0.63392 0.53197 1.00000
N10 N 0.36608 0.34975 0.96803 1.00000
N11 N 0.34975 0.36608 0.46803 1.00000
N12 N 0.63392 0.65025 0.03197 1.00000
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