LaH5Pt
Alexandria ALEXAlex-ID: agm006642011 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_1571_spg9
LaH4Pt LaH6Pt
2024-05-04 02:53:51.065871
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006642011).
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 agm006642011
data_agm006642011
_cell_length_a 5.99407
_cell_length_b 5.99407
_cell_length_c 5.47898
_cell_angle_alpha 65.49936
_cell_angle_beta 65.49936
_cell_angle_gamma 84.56816
_cell_volume 162.28678
_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
La1 La 0.16148 0.83852 0.25000 1.00000
La2 La 0.83852 0.16148 0.75000 1.00000
H1 H 0.10155 0.44287 0.26573 1.00000
H2 H 0.26478 0.13570 0.41723 1.00000
H3 H 0.44287 0.10155 0.76573 1.00000
H4 H 0.72405 0.27595 0.25000 1.00000
H5 H 0.86430 0.73522 0.08277 1.00000
H6 H 0.13570 0.26478 0.91723 1.00000
H7 H 0.27595 0.72405 0.75000 1.00000
H8 H 0.55713 0.89845 0.23427 1.00000
H9 H 0.73522 0.86430 0.58277 1.00000
H10 H 0.89845 0.55713 0.73427 1.00000
Pt1 Pt 0.00000 0.50000 0.00000 1.00000
Pt2 Pt 0.50000 0.00000 0.50000 1.00000
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