Al6Cu2B4O17
Alexandria ALEXAlex-ID: agm003237906 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C6D17_3_spg8
Cu(BO2)2 CuO Al4B2O9
2021-12-23 13:05:58.680419
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003237906).
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 agm003237906
data_agm003237906
_cell_length_a 7.98412
_cell_length_b 7.98412
_cell_length_c 10.67949
_cell_angle_alpha 49.39523
_cell_angle_beta 49.39523
_cell_angle_gamma 42.06394
_cell_volume 326.92162
_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
Al1 Al 0.99225 0.49646 0.50521 1.00000
Al2 Al 0.49646 0.99225 0.50521 1.00000
Al3 Al 0.00302 0.50093 0.99569 1.00000
Al4 Al 0.50093 0.00302 0.99569 1.00000
Al5 Al 0.97219 0.97219 0.21398 1.00000
Al6 Al 0.81449 0.81449 0.16017 1.00000
Cu1 Cu 0.02769 0.02769 0.78588 1.00000
Cu2 Cu 0.18480 0.18480 0.84030 1.00000
B1 B 0.24029 0.24029 0.25851 1.00000
B2 B 0.76421 0.76421 0.74146 1.00000
B3 B 0.50264 0.50264 0.73354 1.00000
B4 B 0.49690 0.49690 0.26085 1.00000
O1 O 0.24221 0.24221 0.38472 1.00000
O2 O 0.75973 0.75973 0.61539 1.00000
O3 O 0.37342 0.37342 0.87439 1.00000
O4 O 0.62502 0.62502 0.13034 1.00000
O5 O 0.21186 0.21186 0.64008 1.00000
O6 O 0.78661 0.78661 0.35861 1.00000
O7 O 0.14155 0.14155 0.07252 1.00000
O8 O 0.84933 0.84933 0.95059 1.00000
O9 O 0.21933 0.64330 0.32554 1.00000
O10 O 0.36640 0.77348 0.66134 1.00000
O11 O 0.03082 0.45279 0.19160 1.00000
O12 O 0.56244 0.96943 0.80787 1.00000
O13 O 0.77348 0.36640 0.66134 1.00000
O14 O 0.64330 0.21933 0.32554 1.00000
O15 O 0.96943 0.56244 0.80787 1.00000
O16 O 0.45279 0.03082 0.19160 1.00000
O17 O 0.97840 0.97840 0.04014 1.00000
