Np4(Ga8Ir3)3
Alexandria ALEXAlex-ID: agm008601931 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B9C24_1_spg2
Ga2Ir Np2(Ga3Ir)3
2024-12-05 06:55:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008601931).
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 agm008601931
data_agm008601931
_cell_length_a 7.50916
_cell_length_b 7.51143
_cell_length_c 13.33174
_cell_angle_alpha 79.17075
_cell_angle_beta 84.63355
_cell_angle_gamma 60.15109
_cell_volume 640.59991
_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 0.83253 0.56695 0.79699 1.00000
Np2 Np 0.16747 0.43305 0.20301 1.00000
Np3 Np 0.49972 0.23637 0.79707 1.00000
Np4 Np 0.50028 0.76363 0.20293 1.00000
Ga1 Ga 0.16591 0.51648 0.94442 1.00000
Ga2 Ga 0.83409 0.48352 0.05558 1.00000
Ga3 Ga 0.16847 0.98184 0.55424 1.00000
Ga4 Ga 0.83153 0.01816 0.44576 1.00000
Ga5 Ga 0.83367 0.64805 0.55214 1.00000
Ga6 Ga 0.16633 0.35195 0.44786 1.00000
Ga7 Ga 0.83439 0.36977 0.33235 1.00000
Ga8 Ga 0.16561 0.63023 0.66765 1.00000
Ga9 Ga 0.48254 0.94468 0.66860 1.00000
Ga10 Ga 0.51746 0.05532 0.33140 1.00000
Ga11 Ga 0.85156 0.25916 0.66683 1.00000
Ga12 Ga 0.14844 0.74084 0.33317 1.00000
Ga13 Ga 0.50260 0.85244 0.94412 1.00000
Ga14 Ga 0.49740 0.14756 0.05588 1.00000
Ga15 Ga 0.82978 0.18764 0.94652 1.00000
Ga16 Ga 0.17022 0.81236 0.05348 1.00000
Ga17 Ga 0.50157 0.68258 0.44788 1.00000
Ga18 Ga 0.49843 0.31742 0.55212 1.00000
Ga19 Ga 0.83475 0.90051 0.17962 1.00000
Ga20 Ga 0.16525 0.09949 0.82038 1.00000
Ga21 Ga 0.36915 0.69087 0.81950 1.00000
Ga22 Ga 0.63085 0.30913 0.18050 1.00000
Ga23 Ga 0.95895 0.89458 0.81995 1.00000
Ga24 Ga 0.04105 0.10542 0.18005 1.00000
Ir1 Ir 0.51715 0.60191 0.64459 1.00000
Ir2 Ir 0.48285 0.39809 0.35541 1.00000
Ir3 Ir 0.82939 0.82945 0.00008 1.00000
Ir4 Ir 0.17061 0.17055 0.99992 1.00000
Ir5 Ir 0.83286 0.69780 0.35563 1.00000
Ir6 Ir 0.16714 0.30220 0.64437 1.00000
Ir7 Ir 0.81692 0.95227 0.64305 1.00000
Ir8 Ir 0.18308 0.04773 0.35695 1.00000
Ir9 Ir 0.50000 0.50000 0.00000 1.00000
