CsRb2PrNb2O8
Alexandria ALEXAlex-ID: agm011276342 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D2E8_109_spg11
Rb3PrNb2O8 Cs3PrNb2O8
2024-08-04 07:37:46.387766
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011276342).
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 agm011276342
data_agm011276342
_cell_length_a 6.49730
_cell_length_b 8.47614
_cell_length_c 10.73771
_cell_angle_alpha 86.54529
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 590.27262
_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 0.25000 0.32480 0.42423 1.00000
Cs2 Cs 0.75000 0.67520 0.57577 1.00000
Rb1 Rb 0.25000 0.50330 0.79703 1.00000
Rb2 Rb 0.75000 0.49670 0.20297 1.00000
Rb3 Rb 0.25000 0.78428 0.08484 1.00000
Rb4 Rb 0.75000 0.21572 0.91516 1.00000
Pr1 Pr 0.25000 0.02454 0.73885 1.00000
Pr2 Pr 0.75000 0.97546 0.26115 1.00000
Nb1 Nb 0.25000 0.23389 0.09336 1.00000
Nb2 Nb 0.75000 0.76611 0.90664 1.00000
Nb3 Nb 0.25000 0.80025 0.42762 1.00000
Nb4 Nb 0.75000 0.19975 0.57238 1.00000
O1 O 0.25000 0.45154 0.09099 1.00000
O2 O 0.75000 0.54846 0.90901 1.00000
O3 O 0.25000 0.97963 0.52258 1.00000
O4 O 0.75000 0.02037 0.47742 1.00000
O5 O 0.25000 0.17127 0.92736 1.00000
O6 O 0.75000 0.82873 0.07264 1.00000
O7 O 0.49308 0.15839 0.17505 1.00000
O8 O 0.50692 0.84161 0.82495 1.00000
O9 O 0.99308 0.84161 0.82495 1.00000
O10 O 0.00692 0.15839 0.17505 1.00000
O11 O 0.48438 0.78903 0.32336 1.00000
O12 O 0.51562 0.21097 0.67664 1.00000
O13 O 0.98438 0.21097 0.67664 1.00000
O14 O 0.01562 0.78903 0.32336 1.00000
O15 O 0.25000 0.62925 0.54295 1.00000
O16 O 0.75000 0.37075 0.45705 1.00000
