TbSc(CuH4)2
Alexandria ALEXAlex-ID: agm007387100 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_323_spg148
TbH3 ScH3 Cu CuH4
2024-10-14 17:13:15.951691
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007387100).
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 agm007387100
data_agm007387100
_cell_length_a 6.24074
_cell_length_b 6.24074
_cell_length_c 6.24074
_cell_angle_alpha 42.64012
_cell_angle_beta 42.64012
_cell_angle_gamma 42.64012
_cell_volume 101.01617
_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 0.00000 0.00000 0.00000 1.00000
Sc1 Sc 0.50000 0.50000 0.50000 1.00000
Cu1 Cu 0.23147 0.23147 0.23147 1.00000
Cu2 Cu 0.76853 0.76853 0.76853 1.00000
H1 H 0.13719 0.13719 0.13719 1.00000
H2 H 0.89666 0.45660 0.45660 1.00000
H3 H 0.86281 0.86281 0.86281 1.00000
H4 H 0.45660 0.45660 0.89666 1.00000
H5 H 0.54340 0.54340 0.10334 1.00000
H6 H 0.45660 0.89666 0.45660 1.00000
H7 H 0.54340 0.10334 0.54340 1.00000
H8 H 0.10334 0.54340 0.54340 1.00000
Get direct link