TbYN2
Alexandria ALEXAlex-ID: agm076608096 · Space group: Pmn2_1 (#31)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_12415_spg31
TbY4N5 Tb4YN5
2025-01-15 04:57:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm076608096).
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 agm076608096
data_agm076608096
_cell_length_a 4.93244
_cell_length_b 6.97710
_cell_length_c 10.46824
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 360.25533
_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 0.50000 0.12482 0.58362 1.00000
Tb2 Tb 0.50000 0.62525 0.58367 1.00000
Tb3 Tb 0.00000 0.37475 0.08367 1.00000
Tb4 Tb 0.00000 0.87518 0.08362 1.00000
Tb5 Tb 0.00000 0.37503 0.75042 1.00000
Tb6 Tb 0.50000 0.62497 0.25042 1.00000
Y1 Y 0.00000 0.87519 0.41695 1.00000
Y2 Y 0.00000 0.37473 0.41698 1.00000
Y3 Y 0.50000 0.62527 0.91698 1.00000
Y4 Y 0.50000 0.12481 0.91695 1.00000
Y5 Y 0.00000 0.87496 0.75036 1.00000
Y6 Y 0.50000 0.12504 0.25036 1.00000
N1 N 0.50000 0.37468 0.41621 1.00000
N2 N 0.50000 0.87527 0.41618 1.00000
N3 N 0.50000 0.37457 0.08286 1.00000
N4 N 0.50000 0.87523 0.08285 1.00000
N5 N 0.00000 0.62492 0.25001 1.00000
N6 N 0.50000 0.37508 0.75001 1.00000
N7 N 0.00000 0.12473 0.91618 1.00000
N8 N 0.00000 0.62532 0.91621 1.00000
N9 N 0.00000 0.12477 0.58285 1.00000
N10 N 0.00000 0.62543 0.58286 1.00000
N11 N 0.50000 0.87490 0.75007 1.00000
N12 N 0.00000 0.12510 0.25007 1.00000
