Be3CoB12
Alexandria ALEXAlex-ID: agm005862004 · Space group: R3c (#161)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C12_125_spg161
CoB B BeB2
2023-07-19 11:37:19.797604
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005862004).
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 agm005862004
data_agm005862004
_cell_length_a 10.29743
_cell_length_b 10.29743
_cell_length_c 6.52540
_cell_angle_alpha 37.90535
_cell_angle_beta 37.90535
_cell_angle_gamma 59.99999
_cell_volume 247.00862
_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
Be1 Be 0.64481 0.44969 0.80519 1.00000
Be2 Be 0.14481 0.60031 0.30519 1.00000
Be3 Be 0.94969 0.14481 0.30519 1.00000
Be4 Be 0.44969 0.10031 0.80519 1.00000
Be5 Be 0.10031 0.64481 0.80519 1.00000
Be6 Be 0.60031 0.94969 0.30519 1.00000
Co1 Co 0.15072 0.15072 0.54783 1.00000
Co2 Co 0.65072 0.65072 0.04783 1.00000
B1 B 0.16496 0.03976 0.97813 1.00000
B2 B 0.08420 0.28864 0.69691 1.00000
B3 B 0.94210 0.84224 0.60490 1.00000
B4 B 0.84536 0.34196 0.00307 1.00000
B5 B 0.34536 0.30960 0.50307 1.00000
B6 B 0.44210 0.11076 0.10490 1.00000
B7 B 0.58420 0.43025 0.19691 1.00000
B8 B 0.84224 0.61076 0.60490 1.00000
B9 B 0.66496 0.31715 0.47813 1.00000
B10 B 0.93025 0.08420 0.69691 1.00000
B11 B 0.84196 0.34536 0.50307 1.00000
B12 B 0.31715 0.53976 0.47813 1.00000
B13 B 0.11076 0.34224 0.10490 1.00000
B14 B 0.81715 0.16496 0.97813 1.00000
B15 B 0.34196 0.80960 0.00308 1.00000
B16 B 0.43025 0.78864 0.19691 1.00000
B17 B 0.78864 0.58420 0.19691 1.00000
B18 B 0.34224 0.44210 0.10490 1.00000
B19 B 0.53976 0.66496 0.47813 1.00000
B20 B 0.80960 0.84536 0.00308 1.00000
B21 B 0.30960 0.84196 0.50308 1.00000
B22 B 0.03976 0.81715 0.97813 1.00000
B23 B 0.28864 0.93025 0.69691 1.00000
B24 B 0.61076 0.94210 0.60490 1.00000
