TbYN2
Alexandria ALEXAlex-ID: agm074464530 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_12383_spg8
TbY4N5 Tb4YN5
2025-01-15 04:54:08
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm074464530).
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 agm074464530
data_agm074464530
_cell_length_a 6.04141
_cell_length_b 6.04141
_cell_length_c 6.97905
_cell_angle_alpha 73.22219
_cell_angle_beta 106.77781
_cell_angle_gamma 131.80892
_cell_volume 180.12308
_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 0.40549 0.59451 0.59995 1.00000
Tb2 Tb 0.73871 0.26129 0.26631 1.00000
Tb3 Tb 0.73873 0.26127 0.76680 1.00000
Y1 Y 0.07206 0.92794 0.43299 1.00000
Y2 Y 0.40549 0.59451 0.09992 1.00000
Y3 Y 0.07210 0.92790 0.93349 1.00000
N1 N 0.57212 0.42788 0.43286 1.00000
N2 N 0.90600 0.09400 0.10011 1.00000
N3 N 0.23884 0.76116 0.76681 1.00000
N4 N 0.23875 0.76125 0.26612 1.00000
N5 N 0.57212 0.42788 0.93341 1.00000
N6 N 0.90598 0.09402 0.60005 1.00000
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