ZrNp2(MnN2)3
Alexandria ALEXAlex-ID: agm040972758 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_1_spg12
Np7N12 Zr3NpN6 Mn2N ZrN
2024-10-22 14:43:22.625791
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040972758).
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 agm040972758
data_agm040972758
_cell_length_a 5.78080
_cell_length_b 5.78080
_cell_length_c 5.15288
_cell_angle_alpha 81.32510
_cell_angle_beta 81.32510
_cell_angle_gamma 122.30113
_cell_volume 138.25600
_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 0.66807 0.33193 0.00000 1.00000
Np2 Np 0.33193 0.66807 0.00000 1.00000
Mn1 Mn 0.85913 0.14087 0.50000 1.00000
Mn2 Mn 0.14087 0.85913 0.50000 1.00000
Mn3 Mn 0.50000 0.50000 0.50000 1.00000
N1 N 0.59532 0.92300 0.25788 1.00000
N2 N 0.74152 0.74152 0.74011 1.00000
N3 N 0.40468 0.07700 0.74212 1.00000
N4 N 0.92300 0.59532 0.25788 1.00000
N5 N 0.25848 0.25848 0.25989 1.00000
N6 N 0.07700 0.40468 0.74212 1.00000
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