Np(MnGe)6
Alexandria ALEXAlex-ID: agm024677295 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C6_11_spg71
Np(MnGe)6
2024-12-06 16:37:42.174677
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024677295).
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 agm024677295
data_agm024677295
_cell_length_a 14.23500
_cell_length_b 14.23500
_cell_length_c 14.23500
_cell_angle_alpha 159.09724
_cell_angle_beta 146.63601
_cell_angle_gamma 39.70167
_cell_volume 565.11859
_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
Np1 Np 0.16826 0.16826 0.00000 1.00000
Np2 Np 0.83174 0.83174 0.00000 1.00000
Np3 Np 0.00000 0.50000 0.50000 1.00000
Mn1 Mn 0.75003 0.00000 0.75003 1.00000
Mn2 Mn 0.24997 0.00000 0.24997 1.00000
Mn3 Mn 0.00000 0.00000 0.50000 1.00000
Mn4 Mn 0.50000 0.00000 0.00000 1.00000
Mn5 Mn 0.50000 0.50000 0.50000 1.00000
Mn6 Mn 0.00000 0.50000 0.00000 1.00000
Mn7 Mn 0.08466 0.33334 0.75132 1.00000
Mn8 Mn 0.41798 0.66666 0.75132 1.00000
Mn9 Mn 0.58202 0.33334 0.24868 1.00000
Mn10 Mn 0.91534 0.66666 0.24868 1.00000
Mn11 Mn 0.83316 0.83344 0.49974 1.00000
Mn12 Mn 0.66630 0.16656 0.99972 1.00000
Mn13 Mn 0.33370 0.33342 0.50026 1.00000
Mn14 Mn 0.16684 0.66658 0.00028 1.00000
Mn15 Mn 0.16684 0.16656 0.50026 1.00000
Mn16 Mn 0.33370 0.83344 0.00028 1.00000
Mn17 Mn 0.66630 0.66658 0.49974 1.00000
Mn18 Mn 0.83316 0.33342 0.99972 1.00000
Ge1 Ge 0.05605 0.05605 0.00000 1.00000
Ge2 Ge 0.94395 0.94395 0.00000 1.00000
Ge3 Ge 0.55549 0.05549 0.50000 1.00000
Ge4 Ge 0.44451 0.94451 0.50000 1.00000
Ge5 Ge 0.11177 0.61177 0.50000 1.00000
Ge6 Ge 0.88823 0.38823 0.50000 1.00000
Ge7 Ge 0.61015 0.61015 0.00000 1.00000
Ge8 Ge 0.38985 0.38985 0.00000 1.00000
Ge9 Ge 0.22273 0.72273 0.50000 1.00000
Ge10 Ge 0.77727 0.27727 0.50000 1.00000
Ge11 Ge 0.72030 0.72030 0.00000 1.00000
Ge12 Ge 0.27970 0.27970 0.00000 1.00000
Ge13 Ge 0.65455 0.50000 0.15455 1.00000
Ge14 Ge 0.34545 0.50000 0.84545 1.00000
Ge15 Ge 0.82099 0.16652 0.65448 1.00000
Ge16 Ge 0.48796 0.83348 0.65448 1.00000
Ge17 Ge 0.51204 0.16652 0.34552 1.00000
Ge18 Ge 0.17901 0.83348 0.34552 1.00000
