SrZr(WN3)2
Alexandria ALEXAlex-ID: agm017908925 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_2174_spg5
SrZr(WN3)2
2024-09-05 02:28:47.317324
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017908925).
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 agm017908925
data_agm017908925
_cell_length_a 7.24318
_cell_length_b 7.24318
_cell_length_c 6.05917
_cell_angle_alpha 77.45239
_cell_angle_beta 77.45239
_cell_angle_gamma 84.30252
_cell_volume 302.42952
_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
Sr1 Sr 0.31129 0.68871 0.75000 1.00000
Sr2 Sr 0.68871 0.31129 0.25000 1.00000
Zr1 Zr 0.91252 0.08748 0.75000 1.00000
Zr2 Zr 0.08748 0.91252 0.25000 1.00000
W1 W 0.37858 0.19393 0.78402 1.00000
W2 W 0.80607 0.62142 0.71598 1.00000
W3 W 0.62142 0.80607 0.21598 1.00000
W4 W 0.19393 0.37858 0.28402 1.00000
N1 N 0.19307 0.01287 0.87363 1.00000
N2 N 0.98713 0.80693 0.62637 1.00000
N3 N 0.80693 0.98713 0.12637 1.00000
N4 N 0.01287 0.19307 0.37363 1.00000
N5 N 0.61943 0.09532 0.70807 1.00000
N6 N 0.90468 0.38057 0.79193 1.00000
N7 N 0.38057 0.90468 0.29193 1.00000
N8 N 0.09532 0.61943 0.20807 1.00000
N9 N 0.36679 0.34346 0.01033 1.00000
N10 N 0.65654 0.63321 0.48967 1.00000
N11 N 0.63321 0.65654 0.98967 1.00000
N12 N 0.34346 0.36679 0.51033 1.00000
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