Zr3(NpMn)2
Alexandria ALEXAlex-ID: agm009670140 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_21_spg12
Zr Np ZrMn2
2024-04-19 02:47:29.275824
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009670140).
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 agm009670140
data_agm009670140
_cell_length_a 5.93851
_cell_length_b 5.93851
_cell_length_c 8.41475
_cell_angle_alpha 63.80064
_cell_angle_beta 63.80064
_cell_angle_gamma 30.57699
_cell_volume 134.21770
_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 0.50000 0.50000 0.00000 1.00000
Zr2 Zr 0.60890 0.60890 0.56863 1.00000
Zr3 Zr 0.39110 0.39110 0.43137 1.00000
Np1 Np 0.81174 0.81174 0.86926 1.00000
Np2 Np 0.18826 0.18826 0.13074 1.00000
Mn1 Mn 0.80295 0.80295 0.24298 1.00000
Mn2 Mn 0.19705 0.19705 0.75702 1.00000
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