U3Co2B2C3
Alexandria ALEXAlex-ID: agm016089059 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3D3_10_spg71
U2CoC2 UCoBC UBC
2024-09-25 15:06:56.735802
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm016089059).
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 agm016089059
data_agm016089059
_cell_length_a 10.15753
_cell_length_b 10.15753
_cell_length_c 10.15753
_cell_angle_alpha 159.99556
_cell_angle_beta 159.99556
_cell_angle_gamma 28.43808
_cell_volume 122.58656
_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
U1 U 0.63196 0.63196 0.00000 1.00000
U2 U 0.36804 0.36804 0.00000 1.00000
U3 U 0.00000 0.00000 0.00000 1.00000
Co1 Co 0.75000 0.25000 0.50000 1.00000
Co2 Co 0.25000 0.75000 0.50000 1.00000
B1 B 0.80500 0.80500 0.00000 1.00000
B2 B 0.19500 0.19500 0.00000 1.00000
C1 C 0.88461 0.88461 0.00000 1.00000
C2 C 0.50000 0.50000 0.00000 1.00000
C3 C 0.11539 0.11539 0.00000 1.00000
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