Li2UTiH8
Alexandria ALEXAlex-ID: agm007433089 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_294_spg2
Li2TiH6 LiH UH3 TiH2
2024-02-10 17:42:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007433089).
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 agm007433089
data_agm007433089
_cell_length_a 4.04106
_cell_length_b 4.29702
_cell_length_c 6.16790
_cell_angle_alpha 83.94479
_cell_angle_beta 110.83621
_cell_angle_gamma 95.45787
_cell_volume 99.34815
_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 0.60149 0.49561 0.76037 1.00000
Li2 Li 0.39851 0.50439 0.23963 1.00000
U1 U 0.00000 0.00000 0.50000 1.00000
Ti1 Ti 0.00000 0.00000 0.00000 1.00000
H1 H 0.38468 0.01507 0.30370 1.00000
H2 H 0.09973 0.69717 0.83998 1.00000
H3 H 0.73833 0.78775 0.16928 1.00000
H4 H 0.61532 0.98493 0.69630 1.00000
H5 H 0.90027 0.30283 0.16002 1.00000
H6 H 0.26167 0.21225 0.83072 1.00000
H7 H 0.21771 0.51909 0.49616 1.00000
H8 H 0.78229 0.48091 0.50384 1.00000
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