TbIn(CuH3)2
Alexandria ALEXAlex-ID: agm007694052 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_392_spg2
InH2 TbH3 Cu CuH4
2024-02-09 06:58:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007694052).
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
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# CIF generated by HEAS from Alexandria entry agm007694052
data_agm007694052
_cell_length_a 4.36029
_cell_length_b 4.35590
_cell_length_c 6.32471
_cell_angle_alpha 99.32987
_cell_angle_beta 109.58622
_cell_angle_gamma 99.35527
_cell_volume 108.59519
_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 0.50000 0.50000 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
Cu1 Cu 0.49156 0.70645 0.16461 1.00000
Cu2 Cu 0.50844 0.29355 0.83539 1.00000
H1 H 0.24450 0.53146 0.89198 1.00000
H2 H 0.36320 0.45267 0.30939 1.00000
H3 H 0.25188 0.03626 0.61131 1.00000
H4 H 0.75550 0.46854 0.10802 1.00000
H5 H 0.63680 0.54733 0.69061 1.00000
H6 H 0.74812 0.96374 0.38869 1.00000
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