K2Pr10Rh2Br17
Alexandria ALEXAlex-ID: agm009063699 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C10D17_2_spg12
Pr6RhBr10 Pr3RhBr3 K2PrBr5 Pr
2025-03-11 10:10:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009063699).
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 agm009063699
data_agm009063699
_cell_length_a 9.70490
_cell_length_b 11.33533
_cell_length_c 11.28409
_cell_angle_alpha 107.97872
_cell_angle_beta 93.92929
_cell_angle_gamma 93.50977
_cell_volume 1173.50774
_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
K1 K 0.99724 0.25074 0.73924 1.00000
K2 K 0.00299 0.74945 0.26050 1.00000
Pr1 Pr 0.57155 0.01105 0.69713 1.00000
Pr2 Pr 0.42853 0.98898 0.30283 1.00000
Pr3 Pr 0.42772 0.30133 0.98632 1.00000
Pr4 Pr 0.57230 0.69866 0.01365 1.00000
Pr5 Pr 0.42936 0.66440 0.66445 1.00000
Pr6 Pr 0.57056 0.33565 0.33553 1.00000
Pr7 Pr 0.30994 0.93726 0.93669 1.00000
Pr8 Pr 0.69010 0.06275 0.06330 1.00000
Pr9 Pr 0.82732 0.78704 0.78878 1.00000
Pr10 Pr 0.17265 0.21292 0.21120 1.00000
Rh1 Rh 0.56893 0.85654 0.85700 1.00000
Rh2 Rh 0.43109 0.14348 0.14297 1.00000
Br1 Br 0.85641 0.95294 0.62416 1.00000
Br2 Br 0.14374 0.04716 0.37597 1.00000
Br3 Br 0.14131 0.37188 0.04005 1.00000
Br4 Br 0.85858 0.62789 0.95979 1.00000
Br5 Br 0.58694 0.18607 0.52069 1.00000
Br6 Br 0.41294 0.81405 0.47935 1.00000
Br7 Br 0.41643 0.48098 0.81500 1.00000
Br8 Br 0.58345 0.51907 0.18503 1.00000
Br9 Br 0.70136 0.56829 0.57018 1.00000
Br10 Br 0.29850 0.43172 0.42981 1.00000
Br11 Br 0.71545 0.89587 0.24670 1.00000
Br12 Br 0.28462 0.10412 0.75330 1.00000
Br13 Br 0.28522 0.75661 0.10567 1.00000
Br14 Br 0.71484 0.24340 0.89430 1.00000
Br15 Br 0.86673 0.28166 0.28234 1.00000
Br16 Br 0.13322 0.71830 0.71781 1.00000
Br17 Br 0.99999 0.99975 0.00026 1.00000
