RbY(CO3)2
Alexandria ALEXAlex-ID: agm004944482 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_485_spg15
RbY(CO3)2
2022-07-21 21:10:19.165739
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004944482).
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 agm004944482
data_agm004944482
_cell_length_a 6.47819
_cell_length_b 6.47819
_cell_length_c 7.22910
_cell_angle_alpha 104.20227
_cell_angle_beta 104.20227
_cell_angle_gamma 94.44145
_cell_volume 282.04712
_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 0.11034 0.88966 0.25000 1.00000
Rb2 Rb 0.88966 0.11034 0.75000 1.00000
Y1 Y 0.59439 0.40561 0.25000 1.00000
Y2 Y 0.40561 0.59439 0.75000 1.00000
C1 C 0.40052 0.14888 0.75675 1.00000
C2 C 0.85112 0.59948 0.74325 1.00000
C3 C 0.59948 0.85112 0.24325 1.00000
C4 C 0.14888 0.40052 0.25675 1.00000
O1 O 0.94867 0.40027 0.24309 1.00000
O2 O 0.59973 0.05133 0.25691 1.00000
O3 O 0.05133 0.59973 0.75691 1.00000
O4 O 0.40027 0.94867 0.74309 1.00000
O5 O 0.21883 0.27062 0.12616 1.00000
O6 O 0.72938 0.78117 0.37384 1.00000
O7 O 0.78117 0.72938 0.87384 1.00000
O8 O 0.27062 0.21883 0.62616 1.00000
O9 O 0.29869 0.53719 0.40255 1.00000
O10 O 0.46281 0.70131 0.09745 1.00000
O11 O 0.70131 0.46281 0.59745 1.00000
O12 O 0.53719 0.29869 0.90255 1.00000
Get direct link