RbCe(BO3)2
Alexandria ALEXAlex-ID: agm004944591 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_487_spg15
Rb2B4O7 Rb5B19O31 RbO4 CeO2
2022-07-17 23:17:30.692948
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004944591).
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 agm004944591
data_agm004944591
_cell_length_a 6.81650
_cell_length_b 6.81650
_cell_length_c 7.59411
_cell_angle_alpha 103.59469
_cell_angle_beta 103.59469
_cell_angle_gamma 95.63987
_cell_volume 328.93171
_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 0.12053 0.87947 0.25000 1.00000
Rb2 Rb 0.87947 0.12053 0.75000 1.00000
Ce1 Ce 0.68719 0.31281 0.25000 1.00000
Ce2 Ce 0.31281 0.68719 0.75000 1.00000
B1 B 0.37946 0.19443 0.79702 1.00000
B2 B 0.80557 0.62054 0.70298 1.00000
B3 B 0.62054 0.80557 0.20298 1.00000
B4 B 0.19443 0.37946 0.29702 1.00000
O1 O 0.00029 0.28699 0.19204 1.00000
O2 O 0.71301 0.99971 0.30796 1.00000
O3 O 0.99971 0.71301 0.80796 1.00000
O4 O 0.28699 0.00029 0.69204 1.00000
O5 O 0.36074 0.29153 0.26730 1.00000
O6 O 0.70847 0.63926 0.23270 1.00000
O7 O 0.63926 0.70847 0.73270 1.00000
O8 O 0.29153 0.36074 0.76730 1.00000
O9 O 0.22312 0.55953 0.43561 1.00000
O10 O 0.44047 0.77688 0.06439 1.00000
O11 O 0.77688 0.44047 0.56439 1.00000
O12 O 0.55953 0.22312 0.93561 1.00000
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