BeAl2GeO6
Alexandria ALEXAlex-ID: agm004947166 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_266_spg146
Al2GeO5 Be2GeO4 BeAl2O4
2022-07-21 12:57:53.292980
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004947166).
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 agm004947166
data_agm004947166
_cell_length_a 4.77249
_cell_length_b 4.77247
_cell_length_c 5.26967
_cell_angle_alpha 63.07634
_cell_angle_beta 63.07550
_cell_angle_gamma 60.00005
_cell_volume 88.60452
_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 0.76444 0.76444 0.70674 1.00000
Al1 Al 0.52157 0.52156 0.43529 1.00000
Al2 Al 0.01283 0.01284 0.96149 1.00000
Ge1 Ge 0.31781 0.31778 0.04663 1.00000
O1 O 0.61087 0.25030 0.21780 1.00000
O2 O 0.25029 0.92104 0.21782 1.00000
O3 O 0.92103 0.61086 0.21779 1.00000
O4 O 0.42710 0.73048 0.73722 1.00000
O5 O 0.73048 0.10519 0.73722 1.00000
O6 O 0.10518 0.42711 0.73719 1.00000
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