Tb(BH3)2
Alexandria ALEXAlex-ID: agm095973996 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_6566_spg8
TbH3 TbB4 Tb(BH4)3
2025-05-27 18:29:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm095973996).
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 agm095973996
data_agm095973996
_cell_length_a 5.24949
_cell_length_b 7.32265
_cell_length_c 8.49222
_cell_angle_alpha 101.33402
_cell_angle_beta 72.09019
_cell_angle_gamma 89.78878
_cell_volume 303.84568
_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 0.16125 0.56371 0.42969 1.00000
Tb2 Tb 0.38616 0.55666 0.97750 1.00000
Tb3 Tb 0.60955 0.94791 0.52844 1.00000
Tb4 Tb 0.85052 0.97539 0.04783 1.00000
B1 B 0.92450 0.30179 0.24172 1.00000
B2 B 0.36009 0.68242 0.70185 1.00000
B3 B 0.64205 0.19829 0.79711 1.00000
B4 B 0.08204 0.81123 0.25575 1.00000
B5 B 0.30748 0.20077 0.79535 1.00000
B6 B 0.41048 0.81200 0.25574 1.00000
B7 B 0.58958 0.30358 0.24316 1.00000
B8 B 0.68866 0.68103 0.70130 1.00000
H1 H 0.09793 0.17846 0.14732 1.00000
H2 H 0.25521 0.79538 0.63903 1.00000
H3 H 0.72762 0.33332 0.87290 1.00000
H4 H 0.90284 0.72430 0.35109 1.00000
H5 H 0.02815 0.44556 0.19629 1.00000
H6 H 0.30438 0.52402 0.64815 1.00000
H7 H 0.68294 0.06294 0.85652 1.00000
H8 H 0.96571 0.97278 0.29226 1.00000
H9 H 0.79760 0.52214 0.64580 1.00000
H10 H 0.53133 0.44775 0.19778 1.00000
H11 H 0.48795 0.97366 0.29248 1.00000
H12 H 0.20103 0.06636 0.85292 1.00000
H13 H 0.27789 0.17788 0.65249 1.00000
H14 H 0.60340 0.73759 0.11913 1.00000
H15 H 0.43350 0.30085 0.38616 1.00000
H16 H 0.71016 0.72666 0.85191 1.00000
H17 H 0.18979 0.73038 0.85272 1.00000
H18 H 0.94157 0.29771 0.38376 1.00000
H19 H 0.02550 0.73649 0.11921 1.00000
H20 H 0.81754 0.17307 0.65547 1.00000
H21 H 0.49583 0.72484 0.35097 1.00000
H22 H 0.14794 0.33744 0.87074 1.00000
H23 H 0.85486 0.79419 0.63924 1.00000
H24 H 0.50698 0.18144 0.15024 1.00000
