Rb4Hf6CoBr18
Alexandria ALEXAlex-ID: agm021216619 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C6D18_4_spg2
Rb4Hf6CoBr18
2024-11-02 03:22:18.940676
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021216619).
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 agm021216619
data_agm021216619
_cell_length_a 11.22074
_cell_length_b 10.89149
_cell_length_c 10.74547
_cell_angle_alpha 79.08296
_cell_angle_beta 115.13996
_cell_angle_gamma 120.41896
_cell_volume 1024.61209
_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 0.53077 0.29646 0.65265 1.00000
Rb2 Rb 0.46923 0.70354 0.34735 1.00000
Rb3 Rb 0.22869 0.65287 0.69712 1.00000
Rb4 Rb 0.77131 0.34713 0.30288 1.00000
Hf1 Hf 0.76581 0.80666 0.85375 1.00000
Hf2 Hf 0.23419 0.19334 0.14625 1.00000
Hf3 Hf 0.12875 0.99108 0.86913 1.00000
Hf4 Hf 0.87125 0.00892 0.13087 1.00000
Hf5 Hf 0.94265 0.17362 0.84235 1.00000
Hf6 Hf 0.05735 0.82638 0.15765 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
Br1 Br 0.07796 0.18230 0.68280 1.00000
Br2 Br 0.92204 0.81770 0.31720 1.00000
Br3 Br 0.67388 0.97794 0.66506 1.00000
Br4 Br 0.32612 0.02206 0.33494 1.00000
Br5 Br 0.87547 0.37149 0.65906 1.00000
Br6 Br 0.12453 0.62851 0.34094 1.00000
Br7 Br 0.80494 0.59226 0.01094 1.00000
Br8 Br 0.19506 0.40774 0.98906 1.00000
Br9 Br 0.27496 0.98078 0.72471 1.00000
Br10 Br 0.72504 0.01922 0.27529 1.00000
Br11 Br 0.79388 0.20357 0.96886 1.00000
Br12 Br 0.20612 0.79643 0.03114 1.00000
Br13 Br 0.88207 0.77573 0.69440 1.00000
Br14 Br 0.11793 0.22427 0.30560 1.00000
Br15 Br 0.59788 0.79296 0.98319 1.00000
Br16 Br 0.40212 0.20704 0.01681 1.00000
Br17 Br 0.49689 0.58718 0.68269 1.00000
Br18 Br 0.50311 0.41282 0.31731 1.00000
