LiTb(ZnH4)2
Alexandria ALEXAlex-ID: agm096738632 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1_spg5
TbH3 LiH ZnH2
2025-05-27 07:55:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096738632).
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 agm096738632
data_agm096738632
_cell_length_a 4.41183
_cell_length_b 4.60260
_cell_length_c 7.92791
_cell_angle_alpha 94.20589
_cell_angle_beta 84.40972
_cell_angle_gamma 130.72064
_cell_volume 121.41844
_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
Li1 Li 0.82890 0.95850 0.51049 1.00000
Tb1 Tb 0.81597 0.88988 0.01817 1.00000
Zn1 Zn 0.19981 0.57564 0.73984 1.00000
Zn2 Zn 0.78656 0.39554 0.27629 1.00000
H1 H 0.18133 0.45143 0.17469 1.00000
H2 H 0.95764 0.72882 0.78254 1.00000
H3 H 0.53650 0.21297 0.07395 1.00000
H4 H 0.69626 0.01484 0.77660 1.00000
H5 H 0.87617 0.79717 0.28505 1.00000
H6 H 0.29689 0.41012 0.89385 1.00000
H7 H 0.27971 0.47983 0.54927 1.00000
H8 H 0.54426 0.08526 0.41926 1.00000
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