Be2H5Pt2
Alexandria ALEXAlex-ID: agm007282563 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_248_spg12
H2 BePt
2024-02-08 02:10:08
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007282563).
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 agm007282563
data_agm007282563
_cell_length_a 2.76860
_cell_length_b 3.69142
_cell_length_c 8.20019
_cell_angle_alpha 101.11684
_cell_angle_beta 89.80654
_cell_angle_gamma 91.93445
_cell_volume 82.18687
_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
Be1 Be 0.33377 0.32711 0.10005 1.00000
Be2 Be 0.66623 0.67289 0.89995 1.00000
H1 H 0.15998 0.62756 0.75355 1.00000
H2 H 0.84002 0.37244 0.24645 1.00000
H3 H 0.35849 0.90615 0.36112 1.00000
H4 H 0.64151 0.09385 0.63888 1.00000
H5 H 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 0.16153 0.14471 0.78531 1.00000
Pt2 Pt 0.83847 0.85529 0.21469 1.00000
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