Tb5(NbH)2
Alexandria ALEXAlex-ID: agm007220344 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_282_spg12
Tb Nb TbH2
2024-05-29 05:04:36.687102
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007220344).
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 agm007220344
data_agm007220344
_cell_length_a 3.33958
_cell_length_b 7.78973
_cell_length_c 8.38441
_cell_angle_alpha 68.47167
_cell_angle_beta 89.95336
_cell_angle_gamma 77.61294
_cell_volume 197.44617
_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 0.72325 0.55018 0.15404 1.00000
Tb2 Tb 0.27675 0.44982 0.84596 1.00000
Tb3 Tb 0.10594 0.78649 0.44919 1.00000
Tb4 Tb 0.89406 0.21351 0.55081 1.00000
Tb5 Tb 0.00000 0.00000 0.00000 1.00000
Nb1 Nb 0.58691 0.82935 0.75936 1.00000
Nb2 Nb 0.41309 0.17065 0.24064 1.00000
H1 H 0.45493 0.09142 0.77498 1.00000
H2 H 0.54507 0.90858 0.22502 1.00000
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