Be2InCuH8
Alexandria ALEXAlex-ID: agm007383151 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_4_spg155
InH2 BeH2 Cu CuH4
2025-06-11 21:34:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007383151).
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 agm007383151
data_agm007383151
_cell_length_a 4.14133
_cell_length_b 4.45318
_cell_length_c 6.32604
_cell_angle_alpha 74.45731
_cell_angle_beta 73.20625
_cell_angle_gamma 57.63602
_cell_volume 93.40982
_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 0.25948 0.24767 0.23211 1.00000
Be2 Be 0.74052 0.75233 0.76789 1.00000
In1 In 0.50000 0.50000 0.50000 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
H1 H 0.09024 0.21754 0.46696 1.00000
H2 H 0.62911 0.23758 0.22193 1.00000
H3 H 0.90976 0.78246 0.53304 1.00000
H4 H 0.00587 0.61173 0.14101 1.00000
H5 H 0.99413 0.38827 0.85899 1.00000
H6 H 0.30724 0.92388 0.17584 1.00000
H7 H 0.69276 0.07612 0.82416 1.00000
H8 H 0.37089 0.76242 0.77807 1.00000
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