CsNd(CO3)2
Alexandria ALEXAlex-ID: agm004945166 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_485_spg15
CsNd(CO3)2
2022-07-21 21:19:01.451715
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004945166).
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 agm004945166
data_agm004945166
_cell_length_a 6.68262
_cell_length_b 6.68262
_cell_length_c 7.61754
_cell_angle_alpha 104.94825
_cell_angle_beta 104.94825
_cell_angle_gamma 92.43073
_cell_volume 315.37540
_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 0.10523 0.89477 0.25000 1.00000
Cs2 Cs 0.89477 0.10523 0.75000 1.00000
Nd1 Nd 0.59580 0.40420 0.25000 1.00000
Nd2 Nd 0.40420 0.59580 0.75000 1.00000
C1 C 0.40194 0.15219 0.75998 1.00000
C2 C 0.84781 0.59806 0.74002 1.00000
C3 C 0.59806 0.84781 0.24002 1.00000
C4 C 0.15219 0.40194 0.25998 1.00000
O1 O 0.95811 0.39771 0.25123 1.00000
O2 O 0.60229 0.04189 0.24877 1.00000
O3 O 0.04189 0.60229 0.74877 1.00000
O4 O 0.39771 0.95811 0.75123 1.00000
O5 O 0.21935 0.28310 0.12866 1.00000
O6 O 0.71690 0.78065 0.37134 1.00000
O7 O 0.78065 0.71690 0.87134 1.00000
O8 O 0.28310 0.21935 0.62866 1.00000
O9 O 0.29629 0.52980 0.40223 1.00000
O10 O 0.47020 0.70371 0.09777 1.00000
O11 O 0.70371 0.47020 0.59777 1.00000
O12 O 0.52980 0.29629 0.90223 1.00000
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