LiSm(H4Pt)2
Alexandria ALEXAlex-ID: agm007194645 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_22_spg2
LiSm(H3Pt)2 Sm(H3Pt)4 SmH5Pt Li2H6Pt
2025-05-28 05:01:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007194645).
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 agm007194645
data_agm007194645
_cell_length_a 3.78593
_cell_length_b 4.70267
_cell_length_c 7.32918
_cell_angle_alpha 92.73383
_cell_angle_beta 75.05659
_cell_angle_gamma 66.20323
_cell_volume 113.64489
_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 0.88613 0.27421 0.95235 1.00000
Sm1 Sm 0.50256 0.50168 0.49311 1.00000
H1 H 0.26955 0.03698 0.42874 1.00000
H2 H 0.59732 0.74685 0.05922 1.00000
H3 H 0.73310 0.93771 0.59292 1.00000
H4 H 0.84278 0.10941 0.20531 1.00000
H5 H 0.18682 0.81263 0.81353 1.00000
H6 H 0.09891 0.52281 0.27865 1.00000
H7 H 0.93427 0.42710 0.70487 1.00000
H8 H 0.42592 0.19012 0.95711 1.00000
Pt1 Pt 0.33446 0.12457 0.20632 1.00000
Pt2 Pt 0.68817 0.81593 0.80789 1.00000
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