BaCo2
Alexandria ALEXAlex-ID: agm005450034 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_70_spg71
Co Ba
2023-03-20 14:24:48.832662
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005450034).
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
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# CIF generated by HEAS from Alexandria entry agm005450034
data_agm005450034
_cell_length_a 6.42848
_cell_length_b 6.42848
_cell_length_c 6.46216
_cell_angle_alpha 67.74676
_cell_angle_beta 67.74676
_cell_angle_gamma 36.91644
_cell_volume 147.06589
_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 0.17037 0.17037 0.80890 1.00000
Ba2 Ba 0.82963 0.82963 0.19110 1.00000
Co1 Co 0.91155 0.91155 0.64159 1.00000
Co2 Co 0.48051 0.48051 0.68506 1.00000
Co3 Co 0.51949 0.51949 0.31494 1.00000
Co4 Co 0.08845 0.08845 0.35841 1.00000
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