ZrNp4O10
Alexandria ALEXAlex-ID: agm006010185 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C10_8_spg166
NpO2 ZrO2
2023-08-08 11:57:50.004098
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006010185).
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 agm006010185
data_agm006010185
_cell_length_a 3.78514
_cell_length_b 3.78514
_cell_length_c 15.56651
_cell_angle_alpha 83.01672
_cell_angle_beta 83.01672
_cell_angle_gamma 60.00000
_cell_volume 191.23369
_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 0.00000 0.00000 1.00000
Np1 Np 0.39829 0.39829 0.80512 1.00000
Np2 Np 0.79937 0.79937 0.60189 1.00000
Np3 Np 0.20063 0.20063 0.39811 1.00000
Np4 Np 0.60171 0.60171 0.19488 1.00000
O1 O 0.95256 0.95256 0.14232 1.00000
O2 O 0.14976 0.14976 0.55071 1.00000
O3 O 0.55117 0.55117 0.34648 1.00000
O4 O 0.34787 0.34787 0.95639 1.00000
O5 O 0.74832 0.74832 0.75504 1.00000
O6 O 0.65213 0.65213 0.04361 1.00000
O7 O 0.85024 0.85024 0.44929 1.00000
O8 O 0.25168 0.25168 0.24496 1.00000
O9 O 0.04744 0.04744 0.85768 1.00000
O10 O 0.44883 0.44883 0.65352 1.00000
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