SrTh(WN3)2
Alexandria ALEXAlex-ID: agm017391000 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_13_spg15
SrTh(WN3)2
2024-09-14 04:54:13.859320
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017391000).
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 agm017391000
data_agm017391000
_cell_length_a 7.45584
_cell_length_b 7.45584
_cell_length_c 6.39572
_cell_angle_alpha 76.55160
_cell_angle_beta 76.55160
_cell_angle_gamma 86.46913
_cell_volume 336.29419
_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 0.30959 0.69041 0.25000 1.00000
Sr2 Sr 0.69041 0.30959 0.75000 1.00000
Th1 Th 0.90250 0.09750 0.25000 1.00000
Th2 Th 0.09750 0.90250 0.75000 1.00000
W1 W 0.79350 0.62254 0.24037 1.00000
W2 W 0.37746 0.20650 0.25963 1.00000
W3 W 0.20650 0.37746 0.75963 1.00000
W4 W 0.62254 0.79350 0.74037 1.00000
N1 N 0.98364 0.79530 0.13994 1.00000
N2 N 0.20470 0.01636 0.36006 1.00000
N3 N 0.01636 0.20470 0.86006 1.00000
N4 N 0.79530 0.98364 0.63994 1.00000
N5 N 0.88424 0.39276 0.32665 1.00000
N6 N 0.60724 0.11576 0.17335 1.00000
N7 N 0.11576 0.60724 0.67335 1.00000
N8 N 0.39276 0.88424 0.82665 1.00000
N9 N 0.66851 0.63403 0.00343 1.00000
N10 N 0.36597 0.33149 0.49657 1.00000
N11 N 0.33149 0.36597 0.99657 1.00000
N12 N 0.63403 0.66851 0.50343 1.00000
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