NaCu(H3Pt)2
Alexandria ALEXAlex-ID: agm007394256 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_392_spg2
H10Pt Na2H6Pt CuPt H3Pt
2024-02-08 08:37:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007394256).
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 agm007394256
data_agm007394256
_cell_length_a 4.72457
_cell_length_b 4.99969
_cell_length_c 4.94532
_cell_angle_alpha 118.42438
_cell_angle_beta 113.66107
_cell_angle_gamma 85.28855
_cell_volume 93.23281
_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 0.22851 0.68373 0.43807 1.00000
Cu1 Cu 0.62407 0.02299 0.34365 1.00000
H1 H 0.22104 0.19746 0.91863 1.00000
H2 H 0.27079 0.17904 0.43466 1.00000
H3 H 0.77121 0.28576 0.16503 1.00000
H4 H 0.75299 0.72698 0.99485 1.00000
H5 H 0.76771 0.82653 0.57535 1.00000
H6 H 0.21612 0.67987 0.90649 1.00000
Pt1 Pt 0.49226 0.41491 0.90527 1.00000
Pt2 Pt 0.99370 0.99793 0.99481 1.00000
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