U2Nb3Si4
Alexandria ALEXAlex-ID: agm005246791 · Space group: P4_12_12 (#92)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_98_spg92
U2Nb3Si4
2022-12-13 06:49:12.871161
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005246791).
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 agm005246791
data_agm005246791
_cell_length_a 7.04711
_cell_length_b 7.04711
_cell_length_c 12.97503
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 644.36221
_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 0.99503 0.33219 0.21895 1.00000
U2 U 0.00497 0.66781 0.71895 1.00000
U3 U 0.16781 0.49503 0.46895 1.00000
U4 U 0.50497 0.83219 0.03105 1.00000
U5 U 0.83219 0.50497 0.96895 1.00000
U6 U 0.49503 0.16781 0.53105 1.00000
U7 U 0.33219 0.99503 0.78105 1.00000
U8 U 0.66781 0.00497 0.28105 1.00000
Nb1 Nb 0.16853 0.16853 0.00000 1.00000
Nb2 Nb 0.83147 0.83147 0.50000 1.00000
Nb3 Nb 0.33147 0.66853 0.25000 1.00000
Nb4 Nb 0.66853 0.33147 0.75000 1.00000
Nb5 Nb 0.15613 0.99930 0.37453 1.00000
Nb6 Nb 0.84387 0.00070 0.87453 1.00000
Nb7 Nb 0.50070 0.65613 0.62453 1.00000
Nb8 Nb 0.34387 0.49930 0.87547 1.00000
Nb9 Nb 0.49930 0.34387 0.12453 1.00000
Nb10 Nb 0.65613 0.50070 0.37547 1.00000
Nb11 Nb 0.99930 0.15613 0.62547 1.00000
Nb12 Nb 0.00070 0.84387 0.12547 1.00000
Si1 Si 0.29652 0.04043 0.18450 1.00000
Si2 Si 0.70348 0.95957 0.68450 1.00000
Si3 Si 0.45957 0.79652 0.43450 1.00000
Si4 Si 0.20348 0.54043 0.06550 1.00000
Si5 Si 0.54043 0.20348 0.93450 1.00000
Si6 Si 0.79652 0.45957 0.56550 1.00000
Si7 Si 0.04043 0.29652 0.81550 1.00000
Si8 Si 0.95957 0.70348 0.31550 1.00000
Si9 Si 0.37085 0.29272 0.31637 1.00000
Si10 Si 0.62915 0.70728 0.81637 1.00000
Si11 Si 0.20728 0.87085 0.56637 1.00000
Si12 Si 0.12915 0.79272 0.93363 1.00000
Si13 Si 0.79272 0.12915 0.06637 1.00000
Si14 Si 0.87085 0.20728 0.43363 1.00000
Si15 Si 0.29272 0.37085 0.68363 1.00000
Si16 Si 0.70728 0.62915 0.18363 1.00000
