Nd2NpIr3
Alexandria ALEXAlex-ID: agm017756719 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_4717_spg14
Nd5Ir3 Np NdIr2
2025-04-14 22:43:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017756719).
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 agm017756719
data_agm017756719
_cell_length_a 5.73396
_cell_length_b 7.62312
_cell_length_c 12.97188
_cell_angle_alpha 90.00203
_cell_angle_beta 90.00089
_cell_angle_gamma 70.43864
_cell_volume 534.28284
_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 0.78878 0.92755 0.73313 1.00000
Nd2 Nd 0.78874 0.42753 0.76684 1.00000
Nd3 Nd 0.77715 0.92050 0.42301 1.00000
Nd4 Nd 0.77710 0.42056 0.07704 1.00000
Nd5 Nd 0.22290 0.57944 0.92296 1.00000
Nd6 Nd 0.22285 0.07950 0.57699 1.00000
Nd7 Nd 0.21126 0.57247 0.23316 1.00000
Nd8 Nd 0.21122 0.07245 0.26687 1.00000
Np1 Np 0.76946 0.93824 0.09392 1.00000
Np2 Np 0.76939 0.43825 0.40604 1.00000
Np3 Np 0.23061 0.56175 0.59396 1.00000
Np4 Np 0.23054 0.06176 0.90608 1.00000
Ir1 Ir 0.71277 0.65600 0.58104 1.00000
Ir2 Ir 0.71261 0.15609 0.91895 1.00000
Ir3 Ir 0.67005 0.75072 0.92517 1.00000
Ir4 Ir 0.66994 0.25079 0.57480 1.00000
Ir5 Ir 0.66296 0.71013 0.24451 1.00000
Ir6 Ir 0.66291 0.21003 0.25553 1.00000
Ir7 Ir 0.33709 0.78997 0.74447 1.00000
Ir8 Ir 0.33704 0.28987 0.75549 1.00000
Ir9 Ir 0.33006 0.74921 0.42520 1.00000
Ir10 Ir 0.32995 0.24928 0.07483 1.00000
Ir11 Ir 0.28739 0.84391 0.08105 1.00000
Ir12 Ir 0.28723 0.34400 0.41896 1.00000
