TbBH6
Alexandria ALEXAlex-ID: agm076201396 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_311_spg2
TbH3 Tb(BH4)3
2025-06-25 20:51:31
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm076201396).
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 agm076201396
data_agm076201396
_cell_length_a 4.27026
_cell_length_b 3.99211
_cell_length_c 5.38336
_cell_angle_alpha 120.69883
_cell_angle_beta 116.57790
_cell_angle_gamma 87.30250
_cell_volume 68.58191
_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 0.80989 0.38729 0.58030 1.00000
B1 B 0.54798 0.59531 0.99303 1.00000
H1 H 0.95992 0.99821 0.75377 1.00000
H2 H 0.32329 0.63026 0.37448 1.00000
H3 H 0.62012 0.36408 0.08618 1.00000
H4 H 0.34761 0.80346 0.08067 1.00000
H5 H 0.82782 0.83460 0.11154 1.00000
H6 H 0.31337 0.63679 0.52004 1.00000
Get direct link