CsY6CoBr14
Alexandria ALEXAlex-ID: agm022200410 · Space group: Cmce (#64)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6D14_0_spg64
YCoBr Cs3Y2Br9 Cs2Y10Co2Br17 YBr3
2024-09-13 12:32:08.663510
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm022200410).
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 agm022200410
data_agm022200410
_cell_length_a 10.80453
_cell_length_b 10.80453
_cell_length_c 13.09488
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 98.45847
_cell_volume 1512.04107
_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 0.50000 0.50000 0.00000 1.00000
Cs2 Cs 0.00000 0.00000 0.50000 1.00000
Y1 Y 0.35559 0.35559 0.38808 1.00000
Y2 Y 0.64441 0.64441 0.61192 1.00000
Y3 Y 0.14441 0.14441 0.88808 1.00000
Y4 Y 0.85559 0.85559 0.11192 1.00000
Y5 Y 0.95635 0.20834 0.12383 1.00000
Y6 Y 0.04365 0.79166 0.87617 1.00000
Y7 Y 0.54365 0.29166 0.62383 1.00000
Y8 Y 0.70834 0.45635 0.37617 1.00000
Y9 Y 0.45635 0.70834 0.37617 1.00000
Y10 Y 0.29166 0.54365 0.62383 1.00000
Y11 Y 0.79166 0.04365 0.87617 1.00000
Y12 Y 0.20834 0.95635 0.12383 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
Co2 Co 0.50000 0.50000 0.50000 1.00000
Br1 Br 0.12526 0.36581 0.00075 1.00000
Br2 Br 0.87474 0.63419 0.99925 1.00000
Br3 Br 0.37474 0.13419 0.50075 1.00000
Br4 Br 0.86581 0.62526 0.49925 1.00000
Br5 Br 0.62526 0.86581 0.49925 1.00000
Br6 Br 0.13419 0.37474 0.50075 1.00000
Br7 Br 0.63419 0.87474 0.99925 1.00000
Br8 Br 0.36581 0.12526 0.00075 1.00000
Br9 Br 0.75174 0.24826 0.00000 1.00000
Br10 Br 0.24826 0.75174 0.00000 1.00000
Br11 Br 0.74826 0.25174 0.50000 1.00000
Br12 Br 0.25174 0.74826 0.50000 1.00000
Br13 Br 0.91432 0.41432 0.25000 1.00000
Br14 Br 0.08568 0.58568 0.75000 1.00000
Br15 Br 0.58568 0.08568 0.75000 1.00000
Br16 Br 0.41432 0.91432 0.25000 1.00000
Br17 Br 0.16959 0.16959 0.25701 1.00000
Br18 Br 0.83041 0.83041 0.74299 1.00000
Br19 Br 0.33041 0.33041 0.75701 1.00000
Br20 Br 0.66959 0.66959 0.24299 1.00000
Br21 Br 0.30230 0.54206 0.24826 1.00000
Br22 Br 0.69770 0.45794 0.75174 1.00000
Br23 Br 0.19770 0.95794 0.74826 1.00000
Br24 Br 0.04206 0.80230 0.25174 1.00000
Br25 Br 0.80230 0.04206 0.25174 1.00000
Br26 Br 0.95794 0.19770 0.74826 1.00000
Br27 Br 0.45794 0.69770 0.75174 1.00000
Br28 Br 0.54206 0.30230 0.24826 1.00000
