Pa2BeCo5B2
Alexandria ALEXAlex-ID: agm005138399 · Space group: P4/mbm (#127)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D5_48_spg127
Be2Co Pa3Co7B2 PaCo3B2 PaB2
2022-07-14 16:04:06.212029
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005138399).
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 agm005138399
data_agm005138399
_cell_length_a 3.17469
_cell_length_b 8.80490
_cell_length_c 8.80490
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 246.12247
_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
Pa1 Pa 0.00000 0.68003 0.18003 1.00000
Pa2 Pa 0.00000 0.31997 0.81997 1.00000
Pa3 Pa 0.00000 0.18003 0.31997 1.00000
Pa4 Pa 0.00000 0.81997 0.68003 1.00000
Be1 Be 0.00000 0.00000 0.00000 1.00000
Be2 Be 0.00000 0.50000 0.50000 1.00000
Co1 Co 0.50000 0.22281 0.06861 1.00000
Co2 Co 0.50000 0.77719 0.93139 1.00000
Co3 Co 0.50000 0.06861 0.77719 1.00000
Co4 Co 0.50000 0.72281 0.43139 1.00000
Co5 Co 0.50000 0.93139 0.22281 1.00000
Co6 Co 0.50000 0.27719 0.56861 1.00000
Co7 Co 0.50000 0.56861 0.72281 1.00000
Co8 Co 0.50000 0.43139 0.27719 1.00000
Co9 Co 0.50000 0.50000 0.00000 1.00000
Co10 Co 0.50000 0.00000 0.50000 1.00000
B1 B 0.00000 0.11648 0.61648 1.00000
B2 B 0.00000 0.88352 0.38352 1.00000
B3 B 0.00000 0.61648 0.88352 1.00000
B4 B 0.00000 0.38352 0.11648 1.00000
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