Cd2B2O5
Alexandria ALEXAlex-ID: agm003316655 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_228_spg12
Cd3(BO3)2 CdB4O7
2022-01-19 07:30:50.828413
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003316655).
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 agm003316655
data_agm003316655
_cell_length_a 6.75420
_cell_length_b 5.26097
_cell_length_c 5.84736
_cell_angle_alpha 111.52310
_cell_angle_beta 90.00000
_cell_angle_gamma 129.93486
_cell_volume 139.89872
_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
Cd1 Cd 0.38092 0.76184 0.66594 1.00000
Cd2 Cd 0.61908 0.23816 0.33406 1.00000
B1 B 0.17650 0.35299 0.01486 1.00000
B2 B 0.82350 0.64701 0.98514 1.00000
O1 O 0.33317 0.66634 0.26177 1.00000
O2 O 0.66683 0.33366 0.73823 1.00000
O3 O 0.18355 0.36709 0.78821 1.00000
O4 O 0.81645 0.63291 0.21179 1.00000
O5 O 0.00000 0.00000 0.00000 1.00000
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