TbY(WN3)2
Alexandria ALEXAlex-ID: agm018226703 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_13_spg15
TbY(WN3)2
2024-09-05 02:37:20.502189
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm018226703).
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 agm018226703
data_agm018226703
_cell_length_a 7.39670
_cell_length_b 7.39670
_cell_length_c 6.32412
_cell_angle_alpha 73.31661
_cell_angle_beta 73.31661
_cell_angle_gamma 81.58405
_cell_volume 316.71221
_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 0.90902 0.09098 0.75000 1.00000
Tb2 Tb 0.09098 0.90902 0.25000 1.00000
Y1 Y 0.28865 0.71135 0.75000 1.00000
Y2 Y 0.71135 0.28865 0.25000 1.00000
W1 W 0.79814 0.62039 0.77623 1.00000
W2 W 0.37961 0.20186 0.72377 1.00000
W3 W 0.20186 0.37961 0.22377 1.00000
W4 W 0.62039 0.79814 0.27623 1.00000
N1 N 0.99778 0.78019 0.65565 1.00000
N2 N 0.21981 0.00222 0.84435 1.00000
N3 N 0.00222 0.21981 0.34435 1.00000
N4 N 0.78019 0.99778 0.15565 1.00000
N5 N 0.88504 0.37547 0.84112 1.00000
N6 N 0.62453 0.11496 0.65888 1.00000
N7 N 0.11496 0.62453 0.15888 1.00000
N8 N 0.37547 0.88504 0.34112 1.00000
N9 N 0.63376 0.65727 0.57370 1.00000
N10 N 0.34273 0.36624 0.92630 1.00000
N11 N 0.36624 0.34273 0.42630 1.00000
N12 N 0.65727 0.63376 0.07370 1.00000
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