U2NbC3
Alexandria ALEXAlex-ID: agm005652323 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_103_spg139
UNbC2 UC
2023-08-07 08:38:06.015260
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005652323).
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 agm005652323
data_agm005652323
_cell_length_a 3.38016
_cell_length_b 3.38015
_cell_length_c 7.62738
_cell_angle_alpha 102.80205
_cell_angle_beta 102.80277
_cell_angle_gamma 89.99745
_cell_volume 82.75685
_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 0.09742 0.09886 0.20033 1.00000
U2 U 0.77104 0.77250 0.54759 1.00000
Nb1 Nb 0.43422 0.43570 0.87396 1.00000
C1 C 0.93422 0.93570 0.87396 1.00000
C2 C 0.27649 0.27795 0.55848 1.00000
C3 C 0.59197 0.59341 0.18943 1.00000
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