BeInH6Pt
Alexandria ALEXAlex-ID: agm076153326 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_166_spg1
InH10 BePt BeH2 In2Pt
2025-05-27 01:02:00
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm076153326).
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 agm076153326
data_agm076153326
_cell_length_a 4.24847
_cell_length_b 4.22772
_cell_length_c 6.39587
_cell_angle_alpha 92.50837
_cell_angle_beta 96.00714
_cell_angle_gamma 120.18008
_cell_volume 98.13867
_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 0.92176 0.94964 0.02751 1.00000
In1 In 0.21550 0.59056 0.52865 1.00000
H1 H 0.85357 0.22994 0.86616 1.00000
H2 H 0.21723 0.94040 0.86712 1.00000
H3 H 0.93414 0.64443 0.18724 1.00000
H4 H 0.30434 0.28888 0.18897 1.00000
H5 H 0.57042 0.57629 0.86782 1.00000
H6 H 0.64494 0.00178 0.18890 1.00000
Pt1 Pt 0.58810 0.27808 0.02762 1.00000
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