Ca2Co12B7
Alexandria ALEXAlex-ID: agm005665253 · Space group: P-6 (#174)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B7C12_1_spg174
Ca3(Co4B3)2 Ca(CoB)4 Co
2023-06-21 05:51:27.977492
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005665253).
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 agm005665253
data_agm005665253
_cell_length_a 3.35755
_cell_length_b 8.49667
_cell_length_c 8.49667
_cell_angle_alpha 120.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 209.91836
_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
Ca1 Ca 0.50000 0.00000 0.00000 1.00000
Ca2 Ca 0.00000 0.66667 0.33333 1.00000
Co1 Co 0.50000 0.90275 0.62422 1.00000
Co2 Co 0.50000 0.72147 0.09725 1.00000
Co3 Co 0.50000 0.37578 0.27853 1.00000
Co4 Co 0.50000 0.23915 0.78180 1.00000
Co5 Co 0.50000 0.54265 0.76085 1.00000
Co6 Co 0.50000 0.21820 0.45735 1.00000
Co7 Co 0.00000 0.06339 0.54760 1.00000
Co8 Co 0.00000 0.48422 0.93661 1.00000
Co9 Co 0.00000 0.45240 0.51578 1.00000
Co10 Co 0.00000 0.75902 0.72449 1.00000
Co11 Co 0.00000 0.96547 0.24098 1.00000
Co12 Co 0.00000 0.27551 0.03453 1.00000
B1 B 0.00000 0.33333 0.66667 1.00000
B2 B 0.00000 0.03522 0.76628 1.00000
B3 B 0.00000 0.73106 0.96478 1.00000
B4 B 0.00000 0.23372 0.26894 1.00000
B5 B 0.50000 0.62361 0.57167 1.00000
B6 B 0.50000 0.94807 0.37639 1.00000
B7 B 0.50000 0.42833 0.05193 1.00000
