Rb2IrBr2(NO2)4
Alexandria ALEXAlex-ID: agm010768631 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4E8_0_spg14
RbNO3 N2O IrO2 RbBrN2 Br
2025-01-07 12:59:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010768631).
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 agm010768631
data_agm010768631
_cell_length_a 7.63988
_cell_length_b 9.81775
_cell_length_c 10.02564
_cell_angle_alpha 90.00000
_cell_angle_beta 118.61524
_cell_angle_gamma 90.00000
_cell_volume 660.13574
_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 0.68214 0.53517 0.35389 1.00000
Rb2 Rb 0.68214 0.96483 0.85389 1.00000
Rb3 Rb 0.31786 0.46483 0.64611 1.00000
Rb4 Rb 0.31786 0.03517 0.14611 1.00000
Ir1 Ir 0.00000 0.00000 0.50000 1.00000
Ir2 Ir 0.00000 0.50000 0.00000 1.00000
Br1 Br 0.71047 0.61554 0.99484 1.00000
Br2 Br 0.28953 0.11554 0.50516 1.00000
Br3 Br 0.71047 0.88446 0.49484 1.00000
Br4 Br 0.28953 0.38446 0.00516 1.00000
N1 N 0.11108 0.46543 0.23421 1.00000
N2 N 0.85475 0.30997 0.96280 1.00000
N3 N 0.14525 0.80997 0.53720 1.00000
N4 N 0.85475 0.19003 0.46280 1.00000
N5 N 0.88892 0.96543 0.26579 1.00000
N6 N 0.88892 0.53457 0.76579 1.00000
N7 N 0.11108 0.03457 0.73421 1.00000
N8 N 0.14525 0.69003 0.03720 1.00000
O1 O 0.00750 0.92750 0.22094 1.00000
O2 O 0.29164 0.48079 0.32539 1.00000
O3 O 0.95082 0.21177 0.04373 1.00000
O4 O 0.00750 0.57250 0.72094 1.00000
O5 O 0.95082 0.28823 0.54373 1.00000
O6 O 0.32254 0.70346 0.13657 1.00000
O7 O 0.67746 0.20346 0.36343 1.00000
O8 O 0.04918 0.71177 0.45627 1.00000
O9 O 0.70836 0.98079 0.17461 1.00000
O10 O 0.04918 0.78823 0.95627 1.00000
O11 O 0.32254 0.79654 0.63657 1.00000
O12 O 0.29164 0.01921 0.82539 1.00000
O13 O 0.99250 0.42750 0.27906 1.00000
O14 O 0.99250 0.07250 0.77906 1.00000
O15 O 0.67746 0.29654 0.86343 1.00000
O16 O 0.70836 0.51921 0.67461 1.00000
