Zr2Np5Mn2
Alexandria ALEXAlex-ID: agm009606985 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_1715_spg12
Zr Np ZrMn2
2024-04-19 03:51:24.537474
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009606985).
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 agm009606985
data_agm009606985
_cell_length_a 3.38301
_cell_length_b 5.89740
_cell_length_c 9.00685
_cell_angle_alpha 82.88963
_cell_angle_beta 88.58777
_cell_angle_gamma 86.49051
_cell_volume 177.95262
_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 0.95542 0.29463 0.63704 1.00000
Zr2 Zr 0.04458 0.70537 0.36296 1.00000
Np1 Np 0.98220 0.67359 0.84482 1.00000
Np2 Np 0.01780 0.32641 0.15518 1.00000
Np3 Np 0.47712 0.82191 0.66165 1.00000
Np4 Np 0.52288 0.17809 0.33835 1.00000
Np5 Np 0.00000 0.00000 0.00000 1.00000
Mn1 Mn 0.47163 0.34006 0.88760 1.00000
Mn2 Mn 0.52837 0.65994 0.11240 1.00000
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