Rb3Nd2O4
Alexandria ALEXAlex-ID: agm005687971 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_473_spg12
RbNdO2 Rb
2023-06-27 20:21:25.307256
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005687971).
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 agm005687971
data_agm005687971
_cell_length_a 3.96220
_cell_length_b 6.97976
_cell_length_c 8.83527
_cell_angle_alpha 81.23114
_cell_angle_beta 77.04263
_cell_angle_gamma 73.51078
_cell_volume 227.29291
_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 0.00000 0.00000 0.00000 1.00000
Rb2 Rb 0.20495 0.41326 0.17683 1.00000
Rb3 Rb 0.79505 0.58674 0.82317 1.00000
Nd1 Nd 0.60851 0.15607 0.62691 1.00000
Nd2 Nd 0.39149 0.84393 0.37309 1.00000
O1 O 0.81174 0.02096 0.35557 1.00000
O2 O 0.18826 0.97904 0.64443 1.00000
O3 O 0.43242 0.28548 0.84968 1.00000
O4 O 0.56758 0.71452 0.15032 1.00000
Get direct link