Ge2H5Pt2
Alexandria ALEXAlex-ID: agm006274686 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_548_spg12
H10Pt GeH8 GePt
2024-02-23 01:57:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006274686).
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 agm006274686
data_agm006274686
_cell_length_a 3.28332
_cell_length_b 4.67049
_cell_length_c 7.78737
_cell_angle_alpha 78.79188
_cell_angle_beta 76.83998
_cell_angle_gamma 68.18316
_cell_volume 107.15387
_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
Ge1 Ge 0.56480 0.53767 0.32754 1.00000
Ge2 Ge 0.43520 0.46233 0.67246 1.00000
H1 H 0.68487 0.85659 0.79755 1.00000
H2 H 0.31513 0.14341 0.20245 1.00000
H3 H 0.78214 0.97114 0.44193 1.00000
H4 H 0.21786 0.02886 0.55807 1.00000
H5 H 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 0.88390 0.99157 0.23046 1.00000
Pt2 Pt 0.11610 0.00843 0.76954 1.00000
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