Np3Ge2Ir7
Alexandria ALEXAlex-ID: agm024480354 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_54_spg12
Np2GeIr3 NpIr3 Ge5Ir4
2025-05-16 09:59:01
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024480354).
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 agm024480354
data_agm024480354
_cell_length_a 5.46629
_cell_length_b 5.46563
_cell_length_c 8.77297
_cell_angle_alpha 90.02575
_cell_angle_beta 108.07600
_cell_angle_gamma 119.98835
_cell_volume 211.92869
_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 0.00000 0.00000 0.00000 1.00000
Np2 Np 0.28001 0.14036 0.42161 1.00000
Np3 Np 0.71999 0.85964 0.57839 1.00000
Ge1 Ge 0.66861 0.33462 0.00471 1.00000
Ge2 Ge 0.33139 0.66538 0.99529 1.00000
Ir1 Ir 0.00000 0.50000 0.50000 1.00000
Ir2 Ir 0.65888 0.07703 0.24409 1.00000
Ir3 Ir 0.16454 0.58284 0.24299 1.00000
Ir4 Ir 0.65939 0.58311 0.24459 1.00000
Ir5 Ir 0.34112 0.92297 0.75591 1.00000
Ir6 Ir 0.34061 0.41689 0.75541 1.00000
Ir7 Ir 0.83546 0.41716 0.75701 1.00000
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