Zr3(NpU)4
Alexandria ALEXAlex-ID: agm009487331 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_136_spg12
Zr Np U
2024-03-09 05:59:13.866224
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009487331).
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 agm009487331
data_agm009487331
_cell_length_a 10.78627
_cell_length_b 10.78627
_cell_length_c 10.78627
_cell_angle_alpha 154.39059
_cell_angle_beta 153.82408
_cell_angle_gamma 36.94571
_cell_volume 238.94120
_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 0.12752 0.12752 0.00000 1.00000
Zr2 Zr 0.87248 0.87248 0.00000 1.00000
Zr3 Zr 0.00000 0.50000 0.50000 1.00000
Np1 Np 0.55850 0.05850 0.50000 1.00000
Np2 Np 0.44150 0.94150 0.50000 1.00000
Np3 Np 0.29212 0.29212 0.00000 1.00000
Np4 Np 0.70788 0.70788 0.00000 1.00000
U1 U 0.58846 0.58846 0.00000 1.00000
U2 U 0.24578 0.74578 0.50000 1.00000
U3 U 0.75422 0.25422 0.50000 1.00000
U4 U 0.41154 0.41154 0.00000 1.00000
Get direct link