NaH11Pt
Alexandria ALEXAlex-ID: agm090189640 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC11_49_spg1
H10Pt Na2H6Pt H2
2025-05-28 15:22:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm090189640).
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 agm090189640
data_agm090189640
_cell_length_a 4.90512
_cell_length_b 5.68442
_cell_length_c 5.26551
_cell_angle_alpha 106.18173
_cell_angle_beta 75.04741
_cell_angle_gamma 120.96388
_cell_volume 119.72949
_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
Na1 Na 0.40700 0.65186 0.48664 1.00000
H1 H 0.43914 0.95700 0.93195 1.00000
H2 H 0.97650 0.73898 0.42888 1.00000
H3 H 0.85707 0.21993 0.67758 1.00000
H4 H 0.73435 0.56410 0.11038 1.00000
H5 H 0.09645 0.21100 0.12374 1.00000
H6 H 0.01719 0.72174 0.82665 1.00000
H7 H 0.42548 0.98282 0.27390 1.00000
H8 H 0.44062 0.28723 0.60987 1.00000
H9 H 0.49204 0.39618 0.73317 1.00000
H10 H 0.08251 0.33965 0.11894 1.00000
H11 H 0.91927 0.14157 0.55811 1.00000
Pt1 Pt 0.11238 0.78793 0.12019 1.00000
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