YBe2AgH8
Alexandria ALEXAlex-ID: agm007383871 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_204_spg12
BeH4 YH3 BeH2 Ag
2025-05-28 03:39:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007383871).
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 agm007383871
data_agm007383871
_cell_length_a 4.51562
_cell_length_b 4.57312
_cell_length_c 6.46114
_cell_angle_alpha 90.57883
_cell_angle_beta 79.47188
_cell_angle_gamma 58.42423
_cell_volume 110.86343
_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
Y1 Y 0.50000 0.50000 0.50000 1.00000
Be1 Be 0.74129 0.88309 0.72138 1.00000
Be2 Be 0.25871 0.11691 0.27862 1.00000
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
H1 H 0.85168 0.83030 0.49159 1.00000
H2 H 0.60834 0.23321 0.78760 1.00000
H3 H 0.14832 0.16970 0.50841 1.00000
H4 H 0.05826 0.64904 0.79656 1.00000
H5 H 0.94174 0.35096 0.20344 1.00000
H6 H 0.49418 0.78228 0.78039 1.00000
H7 H 0.50582 0.21772 0.21961 1.00000
H8 H 0.39166 0.76679 0.21240 1.00000
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