Pa2CoB2
Alexandria ALEXAlex-ID: agm003403147 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_497_spg12
PaCo PaB2
2022-02-09 19:04:33.204031
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003403147).
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 agm003403147
data_agm003403147
_cell_length_a 3.72849
_cell_length_b 5.12677
_cell_length_c 8.53032
_cell_angle_alpha 82.72046
_cell_angle_beta 77.37651
_cell_angle_gamma 68.67672
_cell_volume 148.02353
_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 0.71731 0.21177 0.35361 1.00000
Pa2 Pa 0.87906 0.33787 0.90401 1.00000
Pa3 Pa 0.28269 0.78823 0.64639 1.00000
Pa4 Pa 0.12094 0.66213 0.09599 1.00000
Co1 Co 0.55321 0.20613 0.68745 1.00000
Co2 Co 0.44679 0.79387 0.31255 1.00000
B1 B 0.02494 0.37275 0.57737 1.00000
B2 B 0.58758 0.92248 0.90237 1.00000
B3 B 0.97506 0.62725 0.42263 1.00000
B4 B 0.41242 0.07752 0.09763 1.00000
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