RbCd4(BO3)3
Alexandria ALEXAlex-ID: agm020782821 · Space group: P2/c (#13)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D9_3_spg13
Cd3(BO3)2 Rb3Cd(BO2)5 CdO
2024-12-25 18:21:58
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020782821).
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 agm020782821
data_agm020782821
_cell_length_a 7.90084
_cell_length_b 5.12382
_cell_length_c 12.94364
_cell_angle_alpha 90.00000
_cell_angle_beta 97.43886
_cell_angle_gamma 90.00000
_cell_volume 519.58022
_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
Rb1 Rb 0.50000 0.70328 0.75000 1.00000
Rb2 Rb 0.50000 0.29672 0.25000 1.00000
Cd1 Cd 0.30507 0.78096 0.43810 1.00000
Cd2 Cd 0.69493 0.78096 0.06190 1.00000
Cd3 Cd 0.69493 0.21904 0.56190 1.00000
Cd4 Cd 0.30507 0.21904 0.93810 1.00000
Cd5 Cd 0.02828 0.74584 0.61046 1.00000
Cd6 Cd 0.97172 0.74584 0.88954 1.00000
Cd7 Cd 0.97172 0.25416 0.38954 1.00000
Cd8 Cd 0.02828 0.25416 0.11046 1.00000
B1 B 0.00000 0.26246 0.75000 1.00000
B2 B 0.00000 0.73754 0.25000 1.00000
B3 B 0.70211 0.73208 0.43278 1.00000
B4 B 0.29789 0.73208 0.06722 1.00000
B5 B 0.29789 0.26792 0.56722 1.00000
B6 B 0.70211 0.26792 0.93278 1.00000
O1 O 0.82665 0.89530 0.48706 1.00000
O2 O 0.17335 0.89530 0.01294 1.00000
O3 O 0.17335 0.10470 0.51294 1.00000
O4 O 0.82665 0.10470 0.98706 1.00000
O5 O 0.00000 0.99099 0.75000 1.00000
O6 O 0.00000 0.00901 0.25000 1.00000
O7 O 0.26376 0.53374 0.57621 1.00000
O8 O 0.73624 0.53374 0.92379 1.00000
O9 O 0.73624 0.46626 0.42379 1.00000
O10 O 0.26376 0.46626 0.07621 1.00000
O11 O 0.89272 0.40213 0.67598 1.00000
O12 O 0.10728 0.40213 0.82402 1.00000
O13 O 0.10728 0.59787 0.32402 1.00000
O14 O 0.89272 0.59787 0.17598 1.00000
O15 O 0.55010 0.84047 0.39048 1.00000
O16 O 0.44990 0.84047 0.10952 1.00000
O17 O 0.44990 0.15953 0.60952 1.00000
O18 O 0.55010 0.15953 0.89048 1.00000
