Li4H6Pt
Alexandria ALEXAlex-ID: agm076135840 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C6_528_spg8
Li2H4Pt LiH
2025-05-29 04:08:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm076135840).
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 agm076135840
data_agm076135840
_cell_length_a 5.18829
_cell_length_b 5.07216
_cell_length_c 5.42768
_cell_angle_alpha 106.71824
_cell_angle_beta 111.85182
_cell_angle_gamma 107.15252
_cell_volume 113.24312
_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 0.39495 0.07729 0.07297 1.00000
Li2 Li 0.73468 0.66487 0.98976 1.00000
Li3 Li 0.22121 0.49295 0.42926 1.00000
Li4 Li 0.83076 0.06623 0.61193 1.00000
H1 H 0.10444 0.69271 0.98331 1.00000
H2 H 0.55838 0.30467 0.50713 1.00000
H3 H 0.02548 0.65567 0.81444 1.00000
H4 H 0.30264 0.31594 0.84717 1.00000
H5 H 0.55666 0.93335 0.77874 1.00000
H6 H 0.96568 0.74196 0.41339 1.00000
Pt1 Pt 0.30513 0.05438 0.55190 1.00000
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