Tb2YN6
Alexandria ALEXAlex-ID: agm097634522 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1702_spg12
TbY4N5 Tb4YN5 TbN6
2025-04-08 13:39:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097634522).
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
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# CIF generated by HEAS from Alexandria entry agm097634522
data_agm097634522
_cell_length_a 3.80968
_cell_length_b 4.75517
_cell_length_c 7.52043
_cell_angle_alpha 89.96688
_cell_angle_beta 96.78850
_cell_angle_gamma 89.99925
_cell_volume 135.28236
_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 0.00897 0.05584 0.08978 1.00000
Tb2 Tb 0.05801 0.05540 0.56281 1.00000
Y1 Y 0.55339 0.55565 0.29824 1.00000
N1 N 0.43359 0.05558 0.87418 1.00000
N2 N 0.20161 0.55539 0.54614 1.00000
N3 N 0.03141 0.55577 0.13876 1.00000
N4 N 0.97662 0.55532 0.64927 1.00000
N5 N 0.59284 0.05562 0.32383 1.00000
N6 N 0.64356 0.05543 0.76700 1.00000
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