Cs2Nd10Os2Br17
Alexandria ALEXAlex-ID: agm009109752 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C10D17_1_spg12
Cs2Nd10Os2Br17
2024-09-25 17:34:03.045334
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009109752).
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 agm009109752
data_agm009109752
_cell_length_a 11.18379
_cell_length_b 11.18379
_cell_length_c 9.66460
_cell_angle_alpha 86.16432
_cell_angle_beta 86.16432
_cell_angle_gamma 107.21175
_cell_volume 1147.32527
_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 0.68678 0.31322 0.00000 1.00000
Cs2 Cs 0.31322 0.68678 0.00000 1.00000
Nd1 Nd 0.99048 0.29714 0.57261 1.00000
Nd2 Nd 0.00952 0.70286 0.42739 1.00000
Nd3 Nd 0.70286 0.00952 0.42739 1.00000
Nd4 Nd 0.29714 0.99048 0.57261 1.00000
Nd5 Nd 0.33541 0.33541 0.43525 1.00000
Nd6 Nd 0.66459 0.66459 0.56475 1.00000
Nd7 Nd 0.06847 0.06847 0.29969 1.00000
Nd8 Nd 0.93153 0.93153 0.70031 1.00000
Nd9 Nd 0.21047 0.21047 0.82587 1.00000
Nd10 Nd 0.78953 0.78953 0.17413 1.00000
Os1 Os 0.13942 0.13942 0.56804 1.00000
Os2 Os 0.86058 0.86058 0.43196 1.00000
Br1 Br 0.04930 0.37950 0.85314 1.00000
Br2 Br 0.95070 0.62050 0.14686 1.00000
Br3 Br 0.62050 0.95070 0.14686 1.00000
Br4 Br 0.37950 0.04930 0.85314 1.00000
Br5 Br 0.81392 0.47962 0.58120 1.00000
Br6 Br 0.18608 0.52038 0.41880 1.00000
Br7 Br 0.52038 0.18608 0.41880 1.00000
Br8 Br 0.47962 0.81392 0.58120 1.00000
Br9 Br 0.43164 0.43164 0.70720 1.00000
Br10 Br 0.56836 0.56836 0.29280 1.00000
Br11 Br 0.10425 0.75604 0.71387 1.00000
Br12 Br 0.89575 0.24396 0.28613 1.00000
Br13 Br 0.24396 0.89575 0.28613 1.00000
Br14 Br 0.75604 0.10425 0.71387 1.00000
Br15 Br 0.70750 0.70750 0.86895 1.00000
Br16 Br 0.29250 0.29250 0.13105 1.00000
Br17 Br 0.00000 0.00000 0.00000 1.00000
