P2H5Pt2
Alexandria ALEXAlex-ID: agm007100142 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_253_spg12
H3Pt P2H4Pt P2Pt
2024-01-27 20:30:51.620194
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007100142).
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 agm007100142
data_agm007100142
_cell_length_a 3.44183
_cell_length_b 4.54858
_cell_length_c 7.17297
_cell_angle_alpha 80.69446
_cell_angle_beta 103.81263
_cell_angle_gamma 90.10127
_cell_volume 107.53396
_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
P1 P 0.19813 0.53524 0.39529 1.00000
P2 P 0.80187 0.46476 0.60471 1.00000
H1 H 0.42472 0.75702 0.85007 1.00000
H2 H 0.57528 0.24298 0.14993 1.00000
H3 H 0.16501 0.88492 0.32858 1.00000
H4 H 0.83499 0.11508 0.67142 1.00000
H5 H 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 0.08217 0.24413 0.16398 1.00000
Pt2 Pt 0.91783 0.75587 0.83602 1.00000
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