TbSc(WN3)2
Alexandria ALEXAlex-ID: agm059497933 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_13_spg15
TbSc(WN3)2
2024-11-08 02:45:26.970034
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm059497933).
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 agm059497933
data_agm059497933
_cell_length_a 7.16258
_cell_length_b 7.16258
_cell_length_c 6.06053
_cell_angle_alpha 74.79790
_cell_angle_beta 74.79790
_cell_angle_gamma 81.34546
_cell_volume 288.42481
_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
Tb1 Tb 0.29417 0.70583 0.75000 1.00000
Tb2 Tb 0.70583 0.29417 0.25000 1.00000
Sc1 Sc 0.91605 0.08395 0.75000 1.00000
Sc2 Sc 0.08395 0.91605 0.25000 1.00000
W1 W 0.38222 0.19385 0.75173 1.00000
W2 W 0.80615 0.61778 0.74827 1.00000
W3 W 0.61778 0.80615 0.24827 1.00000
W4 W 0.19385 0.38222 0.25173 1.00000
N1 N 0.20885 0.99956 0.86002 1.00000
N2 N 0.00044 0.79115 0.63998 1.00000
N3 N 0.79115 0.00044 0.13998 1.00000
N4 N 0.99956 0.20885 0.36002 1.00000
N5 N 0.63183 0.09630 0.67787 1.00000
N6 N 0.90370 0.36817 0.82213 1.00000
N7 N 0.36817 0.90370 0.32213 1.00000
N8 N 0.09630 0.63183 0.17787 1.00000
N9 N 0.36091 0.36288 0.95889 1.00000
N10 N 0.63712 0.63909 0.54111 1.00000
N11 N 0.63909 0.63712 0.04111 1.00000
N12 N 0.36288 0.36091 0.45889 1.00000
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