Cs3Nd2O4
Alexandria ALEXAlex-ID: agm005674637 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_1234_spg12
CsNdO2 Cs
2023-07-03 14:58:06.454371
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005674637).
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 agm005674637
data_agm005674637
_cell_length_a 7.43715
_cell_length_b 7.43715
_cell_length_c 12.21411
_cell_angle_alpha 68.41277
_cell_angle_beta 68.41277
_cell_angle_gamma 28.50011
_cell_volume 298.23118
_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 0.57380 0.57380 0.64003 1.00000
Cs2 Cs 0.00000 0.00000 0.00000 1.00000
Cs3 Cs 0.42620 0.42620 0.35997 1.00000
Nd1 Nd 0.68777 0.68777 0.13252 1.00000
Nd2 Nd 0.31223 0.31223 0.86748 1.00000
O1 O 0.30778 0.30778 0.05373 1.00000
O2 O 0.92198 0.92198 0.78968 1.00000
O3 O 0.07802 0.07802 0.21032 1.00000
O4 O 0.69222 0.69222 0.94627 1.00000
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