NaNiGe2Ir
Alexandria ALEXAlex-ID: agm005016392 · Space group: I-4m2 (#119)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_1563_spg119
NiGe NaGeIr
2022-07-04 15:36:37.193470
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005016392).
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 agm005016392
data_agm005016392
_cell_length_a 3.99174
_cell_length_b 3.99174
_cell_length_c 6.10851
_cell_angle_alpha 109.07080
_cell_angle_beta 109.07080
_cell_angle_gamma 90.00000
_cell_volume 86.31908
_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
Na1 Na 0.00000 0.00000 0.00000 1.00000
Ni1 Ni 0.25000 0.75000 0.50000 1.00000
Ge1 Ge 0.62196 0.62196 0.24393 1.00000
Ge2 Ge 0.37804 0.37804 0.75607 1.00000
Ir1 Ir 0.75000 0.25000 0.50000 1.00000
