Zr4Np2Mn
Alexandria ALEXAlex-ID: agm012913667 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_947_spg166
Zr Np ZrMn2
2024-06-04 23:26:49.029525
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012913667).
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
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# CIF generated by HEAS from Alexandria entry agm012913667
data_agm012913667
_cell_length_a 15.11234
_cell_length_b 15.11234
_cell_length_c 15.11234
_cell_angle_alpha 13.06435
_cell_angle_beta 13.06435
_cell_angle_gamma 13.06435
_cell_volume 153.38894
_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 0.37183 0.37183 0.37183 1.00000
Zr2 Zr 0.09446 0.09446 0.09446 1.00000
Zr3 Zr 0.62817 0.62817 0.62817 1.00000
Zr4 Zr 0.90554 0.90554 0.90554 1.00000
Np1 Np 0.18156 0.18156 0.18156 1.00000
Np2 Np 0.81844 0.81844 0.81844 1.00000
Mn1 Mn 0.00000 0.00000 0.00000 1.00000
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