Ge(BO3)2
Alexandria ALEXAlex-ID: agm003499151 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_147_spg15
B2O3 O2 GeO2
2022-02-23 11:41:15.155950
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003499151).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm003499151
data_agm003499151
_cell_length_a 4.87651
_cell_length_b 6.05999
_cell_length_c 6.05999
_cell_angle_alpha 82.16428
_cell_angle_beta 76.12636
_cell_angle_gamma 76.12636
_cell_volume 168.19453
_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
Ge1 Ge 0.25000 0.11158 0.88842 1.00000
Ge2 Ge 0.75000 0.88842 0.11158 1.00000
B1 B 0.23661 0.63615 0.78180 1.00000
B2 B 0.26339 0.21820 0.36385 1.00000
B3 B 0.76339 0.36385 0.21820 1.00000
B4 B 0.73661 0.78180 0.63615 1.00000
O1 O 0.51651 0.65438 0.63619 1.00000
O2 O 0.98349 0.36381 0.34562 1.00000
O3 O 0.48349 0.34562 0.36381 1.00000
O4 O 0.01651 0.63619 0.65438 1.00000
O5 O 0.80070 0.89446 0.40688 1.00000
O6 O 0.69930 0.59312 0.10554 1.00000
O7 O 0.19930 0.10554 0.59312 1.00000
O8 O 0.30070 0.40688 0.89446 1.00000
O9 O 0.13830 0.80964 0.95279 1.00000
O10 O 0.36170 0.04721 0.19036 1.00000
O11 O 0.86170 0.19036 0.04721 1.00000
O12 O 0.63830 0.95279 0.80964 1.00000
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