Nd2NpIr3
Alexandria ALEXAlex-ID: agm003419085 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_425_spg71
Nd5Ir3 Np NdIr2
2022-02-13 16:17:39.285428
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003419085).
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 agm003419085
data_agm003419085
_cell_length_a 5.77692
_cell_length_b 8.34964
_cell_length_c 6.94311
_cell_angle_alpha 107.49365
_cell_angle_beta 114.58348
_cell_angle_gamma 90.00000
_cell_volume 287.42514
_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
Nd1 Nd 0.67127 0.58503 0.34038 1.00000
Nd2 Nd 0.66911 0.08503 0.34038 1.00000
Nd3 Nd 0.33089 0.91497 0.65962 1.00000
Nd4 Nd 0.32873 0.41497 0.65962 1.00000
Np1 Np 0.99835 0.75000 1.00000 1.00000
Np2 Np 0.00165 0.25000 0.00000 1.00000
Ir1 Ir 0.50150 0.25000 1.00000 1.00000
Ir2 Ir 0.49850 0.75000 0.00000 1.00000
Ir3 Ir 0.13956 0.07044 0.28121 1.00000
Ir4 Ir 0.85836 0.42956 0.71879 1.00000
Ir5 Ir 0.14164 0.57044 0.28121 1.00000
Ir6 Ir 0.86044 0.92956 0.71879 1.00000
Get direct link