U(TcB)2
Alexandria ALEXAlex-ID: agm003399261 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_1384_spg11
UTcB2 Tc7B3 U2Tc
2022-02-09 19:20:09.761142
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003399261).
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 agm003399261
data_agm003399261
_cell_length_a 3.10217
_cell_length_b 4.31461
_cell_length_c 9.80203
_cell_angle_alpha 95.81641
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 130.52127
_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 0.25000 0.69714 0.24461 1.00000
U2 U 0.75000 0.30286 0.75539 1.00000
Tc1 Tc 0.25000 0.85110 0.90129 1.00000
Tc2 Tc 0.75000 0.14890 0.09871 1.00000
Tc3 Tc 0.25000 0.25374 0.51318 1.00000
Tc4 Tc 0.75000 0.74626 0.48682 1.00000
B1 B 0.25000 0.78399 0.65270 1.00000
B2 B 0.75000 0.21601 0.34730 1.00000
B3 B 0.25000 0.37968 0.98327 1.00000
B4 B 0.75000 0.62032 0.01673 1.00000
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