TbH3
Alexandria ALEXAlex-ID: agm070904907 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_108_spg62
TbH3
2024-09-26 06:47:58.458382
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070904907).
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 agm070904907
data_agm070904907
_cell_length_a 3.70839
_cell_length_b 3.84629
_cell_length_c 9.89029
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 141.07051
_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 0.75000 0.28610 0.62212 1.00000
Tb2 Tb 0.75000 0.21390 0.12212 1.00000
Tb3 Tb 0.25000 0.71390 0.37788 1.00000
Tb4 Tb 0.25000 0.78610 0.87788 1.00000
H1 H 0.75000 0.79868 0.50070 1.00000
H2 H 0.75000 0.70132 0.00070 1.00000
H3 H 0.25000 0.20132 0.49930 1.00000
H4 H 0.25000 0.29868 0.99930 1.00000
H5 H 0.25000 0.25324 0.75150 1.00000
H6 H 0.75000 0.75324 0.74850 1.00000
H7 H 0.25000 0.24676 0.25150 1.00000
H8 H 0.75000 0.74676 0.24850 1.00000
H9 H 0.25000 0.83559 0.11595 1.00000
H10 H 0.75000 0.16441 0.88405 1.00000
H11 H 0.75000 0.33559 0.38405 1.00000
H12 H 0.25000 0.66441 0.61595 1.00000
Get direct link