Zr5U2Nb
Alexandria ALEXAlex-ID: agm044702932 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_414_spg107
Zr U ZrNb17
2024-10-23 01:23:07.402986
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044702932).
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 agm044702932
data_agm044702932
_cell_length_a 6.49211
_cell_length_b 6.49211
_cell_length_c 6.49211
_cell_angle_alpha 123.47689
_cell_angle_beta 123.47689
_cell_angle_gamma 84.07646
_cell_volume 182.24906
_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
Zr1 Zr 0.00000 0.50000 0.00000 1.00000
Zr2 Zr 0.00000 0.00000 0.50000 1.00000
Zr3 Zr 0.50000 0.50000 0.50000 1.00000
Zr4 Zr 0.50000 0.00000 0.00000 1.00000
Zr5 Zr 0.00000 0.00000 0.00000 1.00000
U1 U 0.00000 0.50000 0.50000 1.00000
U2 U 0.50000 0.00000 0.50000 1.00000
Nb1 Nb 0.50000 0.50000 0.00000 1.00000
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