Tb2H2N5
Alexandria ALEXAlex-ID: agm006972453 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_440_spg12
TbN6 H3N TbN
2024-01-27 11:51:05.408863
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006972453).
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 agm006972453
data_agm006972453
_cell_length_a 7.18747
_cell_length_b 3.74630
_cell_length_c 6.84663
_cell_angle_alpha 77.37204
_cell_angle_beta 36.29639
_cell_angle_gamma 72.23130
_cell_volume 103.80302
_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
H1 H 0.03941 0.69568 0.79304 1.00000
H2 H 0.82511 0.05041 0.67264 1.00000
Tb1 Tb 0.54265 0.30579 0.24568 1.00000
Tb2 Tb 0.31729 0.80257 0.93672 1.00000
N1 N 0.41353 0.91624 0.16231 1.00000
N2 N 0.58094 0.16950 0.88081 1.00000
N3 N 0.74547 0.72919 0.33396 1.00000
N4 N 0.95655 0.41592 0.14165 1.00000
N5 N 0.07903 0.41469 0.83318 1.00000
Get direct link