TbTi(GaH4)2
Alexandria ALEXAlex-ID: agm007226569 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1142_spg2
TbH3 TiH2 Ga GaH6
2024-01-31 18:16:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007226569).
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 agm007226569
data_agm007226569
_cell_length_a 4.26525
_cell_length_b 4.27147
_cell_length_c 6.51544
_cell_angle_alpha 89.69091
_cell_angle_beta 90.32892
_cell_angle_gamma 115.83570
_cell_volume 106.83712
_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 0.50000 1.00000
Ti1 Ti 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 0.64963 0.35384 0.16623 1.00000
Ga2 Ga 0.35037 0.64616 0.83377 1.00000
H1 H 0.82446 0.67980 0.78466 1.00000
H2 H 0.67817 0.82776 0.21519 1.00000
H3 H 0.83168 0.17357 0.77974 1.00000
H4 H 0.17554 0.32020 0.21534 1.00000
H5 H 0.32183 0.17224 0.78481 1.00000
H6 H 0.16832 0.82643 0.22026 1.00000
H7 H 0.33391 0.66412 0.55847 1.00000
H8 H 0.66609 0.33588 0.44153 1.00000
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