Na3(H2Pt)2
Alexandria ALEXAlex-ID: agm005673323 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_1001_spg2
Na2H4Pt Na NaPt2
2023-06-27 05:15:32.800698
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005673323).
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 agm005673323
data_agm005673323
_cell_length_a 6.54548
_cell_length_b 5.91491
_cell_length_c 6.57361
_cell_angle_alpha 89.63054
_cell_angle_beta 92.16081
_cell_angle_gamma 89.73321
_cell_volume 254.31371
_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 0.04338 0.89958 0.76428 1.00000
Na2 Na 0.44075 0.24996 0.11541 1.00000
Na3 Na 0.95662 0.10042 0.23572 1.00000
Na4 Na 0.55925 0.75004 0.88459 1.00000
Na5 Na 0.25415 0.39751 0.56266 1.00000
Na6 Na 0.74585 0.60249 0.43734 1.00000
H1 H 0.38328 0.00955 0.63283 1.00000
H2 H 0.13662 0.47341 0.89953 1.00000
H3 H 0.61672 0.99045 0.36717 1.00000
H4 H 0.86338 0.52659 0.10047 1.00000
H5 H 0.11089 0.74781 0.38490 1.00000
H6 H 0.37630 0.70239 0.17631 1.00000
H7 H 0.88911 0.25219 0.61510 1.00000
H8 H 0.62370 0.29761 0.82369 1.00000
Pt1 Pt 0.35480 0.87021 0.40449 1.00000
Pt2 Pt 0.12284 0.61457 0.13733 1.00000
Pt3 Pt 0.64520 0.12979 0.59551 1.00000
Pt4 Pt 0.87716 0.38543 0.86267 1.00000
Get direct link