Sr(LiH3)2
Alexandria ALEXAlex-ID: agm097908780 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_412_spg12
SrLiH3 LiH9 LiH
2025-04-06 23:39:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097908780).
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 agm097908780
data_agm097908780
_cell_length_a 3.88976
_cell_length_b 3.83056
_cell_length_c 6.06014
_cell_angle_alpha 90.20387
_cell_angle_beta 71.31908
_cell_angle_gamma 90.00692
_cell_volume 85.53827
_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
Sr1 Sr 0.55466 0.55658 0.26879 1.00000
Li1 Li 0.19880 0.05508 0.97178 1.00000
Li2 Li 0.85582 0.05588 0.65493 1.00000
H1 H 0.18079 0.55545 0.01786 1.00000
H2 H 0.71019 0.55576 0.71366 1.00000
H3 H 0.01985 0.05772 0.32434 1.00000
H4 H 0.91905 0.55558 0.68436 1.00000
H5 H 0.68975 0.05534 0.99112 1.00000
H6 H 0.37109 0.05261 0.62316 1.00000
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