BeInH5
Alexandria ALEXAlex-ID: agm006607709 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_1353_spg15
InH10 InH2 BeH2
2024-01-29 00:54:40.452327
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006607709).
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 agm006607709
data_agm006607709
_cell_length_a 4.91201
_cell_length_b 4.91201
_cell_length_c 7.00936
_cell_angle_alpha 69.80678
_cell_angle_beta 69.80678
_cell_angle_gamma 88.54218
_cell_volume 148.12360
_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 0.36468 0.63532 0.25000 1.00000
Be2 Be 0.63532 0.36468 0.75000 1.00000
In1 In 0.00000 0.50000 0.00000 1.00000
In2 In 0.50000 0.00000 0.50000 1.00000
H1 H 0.64788 0.68801 0.08037 1.00000
H2 H 0.32111 0.86003 0.34356 1.00000
H3 H 0.84785 0.15215 0.25000 1.00000
H4 H 0.31199 0.35212 0.41963 1.00000
H5 H 0.68801 0.64788 0.58037 1.00000
H6 H 0.13997 0.67889 0.15644 1.00000
H7 H 0.86003 0.32111 0.84356 1.00000
H8 H 0.15215 0.84785 0.75000 1.00000
H9 H 0.67889 0.13997 0.65644 1.00000
H10 H 0.35212 0.31199 0.91963 1.00000
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