Ba8Cr3Co5O24
Alexandria ALEXAlex-ID: agm011060656 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5C8D24_11_spg1
Ba3Cr2O8 Ba2CoO4 Co3O4 BaCrO4
2024-07-13 06:37:47.199934
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011060656).
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 agm011060656
data_agm011060656
_cell_length_a 8.82057
_cell_length_b 9.07395
_cell_length_c 9.57453
_cell_angle_alpha 75.55363
_cell_angle_beta 77.74080
_cell_angle_gamma 76.51765
_cell_volume 711.90319
_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
Ba1 Ba 0.27820 0.19651 0.76074 1.00000
Ba2 Ba 0.79735 0.26429 0.68876 1.00000
Ba3 Ba 0.70454 0.25068 0.26294 1.00000
Ba4 Ba 0.15708 0.76567 0.78246 1.00000
Ba5 Ba 0.68071 0.81675 0.80639 1.00000
Ba6 Ba 0.26453 0.77010 0.20590 1.00000
Ba7 Ba 0.77094 0.72358 0.23844 1.00000
Ba8 Ba 0.18319 0.29350 0.26746 1.00000
Cr1 Cr 0.51365 0.98506 0.50268 1.00000
Cr2 Cr 0.50239 0.47711 0.99541 1.00000
Cr3 Cr 0.47805 0.51402 0.47562 1.00000
Co1 Co 0.99332 0.06641 0.07500 1.00000
Co2 Co 0.59260 0.05257 0.02719 1.00000
Co3 Co 0.98791 0.91639 0.48168 1.00000
Co4 Co 0.95630 0.47209 0.92539 1.00000
Co5 Co 0.05498 0.51402 0.52308 1.00000
O1 O 0.98562 0.29619 0.06087 1.00000
O2 O 0.49855 0.28760 0.06817 1.00000
O3 O 0.08976 0.30560 0.53680 1.00000
O4 O 0.56669 0.13520 0.53740 1.00000
O5 O 0.90868 0.65926 0.96398 1.00000
O6 O 0.53889 0.86693 0.07908 1.00000
O7 O 0.08270 0.71748 0.51679 1.00000
O8 O 0.45288 0.70341 0.41303 1.00000
O9 O 0.91529 0.97338 0.65255 1.00000
O10 O 0.57061 0.11512 0.83933 1.00000
O11 O 0.01246 0.03109 0.29869 1.00000
O12 O 0.43820 0.04860 0.34927 1.00000
O13 O 0.99856 0.46671 0.73668 1.00000
O14 O 0.39153 0.47191 0.64804 1.00000
O15 O 0.04395 0.56273 0.32911 1.00000
O16 O 0.59868 0.53591 0.09602 1.00000
O17 O 0.15332 0.96402 0.95506 1.00000
O18 O 0.77575 0.03469 0.10589 1.00000
O19 O 0.38655 0.92472 0.65291 1.00000
O20 O 0.67866 0.85251 0.48710 1.00000
O21 O 0.31600 0.57677 0.00552 1.00000
O22 O 0.60123 0.50671 0.82684 1.00000
O23 O 0.40270 0.43906 0.36989 1.00000
O24 O 0.67700 0.44563 0.45186 1.00000
