Np2Mn2Si5Ir
Alexandria ALEXAlex-ID: agm047345744 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D5_56_spg15
Np2Si5Ir3 NpSi MnSi
2024-11-01 07:32:54.014625
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm047345744).
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 agm047345744
data_agm047345744
_cell_length_a 8.10937
_cell_length_b 8.10937
_cell_length_c 5.53302
_cell_angle_alpha 69.91260
_cell_angle_beta 69.91260
_cell_angle_gamma 94.37843
_cell_volume 313.05670
_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 0.41479 0.13600 0.22543 1.00000
Np2 Np 0.86400 0.58521 0.27457 1.00000
Np3 Np 0.58521 0.86400 0.77457 1.00000
Np4 Np 0.13600 0.41479 0.72543 1.00000
Mn1 Mn 0.44471 0.73650 0.42807 1.00000
Mn2 Mn 0.26350 0.55529 0.07193 1.00000
Mn3 Mn 0.55529 0.26350 0.57193 1.00000
Mn4 Mn 0.73650 0.44471 0.92807 1.00000
Si1 Si 0.72589 0.92326 0.17319 1.00000
Si2 Si 0.07674 0.27411 0.32681 1.00000
Si3 Si 0.27411 0.07674 0.82681 1.00000
Si4 Si 0.92326 0.72589 0.67319 1.00000
Si5 Si 0.50471 0.49529 0.75000 1.00000
Si6 Si 0.49529 0.50471 0.25000 1.00000
Si7 Si 0.20839 0.79161 0.75000 1.00000
Si8 Si 0.79161 0.20839 0.25000 1.00000
Si9 Si 0.78459 0.21541 0.75000 1.00000
Si10 Si 0.21541 0.78459 0.25000 1.00000
Ir1 Ir 0.99964 0.00036 0.75000 1.00000
Ir2 Ir 0.00036 0.99964 0.25000 1.00000
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