CsY(CO3)2
Alexandria ALEXAlex-ID: agm004944486 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_485_spg15
CsY(CO3)2
2022-07-21 21:25:25.037069
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004944486).
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 agm004944486
data_agm004944486
_cell_length_a 6.53172
_cell_length_b 6.53172
_cell_length_c 7.49188
_cell_angle_alpha 105.00438
_cell_angle_beta 105.00438
_cell_angle_gamma 91.57479
_cell_volume 296.67194
_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
Cs1 Cs 0.09840 0.90160 0.25000 1.00000
Cs2 Cs 0.90160 0.09840 0.75000 1.00000
Y1 Y 0.59407 0.40593 0.25000 1.00000
Y2 Y 0.40593 0.59407 0.75000 1.00000
C1 C 0.40929 0.15163 0.76741 1.00000
C2 C 0.84837 0.59071 0.73259 1.00000
C3 C 0.59071 0.84837 0.23259 1.00000
C4 C 0.15163 0.40929 0.26741 1.00000
O1 O 0.95289 0.39885 0.25698 1.00000
O2 O 0.60115 0.04711 0.24302 1.00000
O3 O 0.04711 0.60115 0.74302 1.00000
O4 O 0.39885 0.95289 0.75698 1.00000
O5 O 0.22519 0.29366 0.13327 1.00000
O6 O 0.70634 0.77481 0.36673 1.00000
O7 O 0.77481 0.70634 0.86673 1.00000
O8 O 0.29366 0.22519 0.63327 1.00000
O9 O 0.29573 0.53923 0.41268 1.00000
O10 O 0.46077 0.70427 0.08732 1.00000
O11 O 0.70427 0.46077 0.58732 1.00000
O12 O 0.53923 0.29573 0.91268 1.00000
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