Nd3In2Ir
Alexandria ALEXAlex-ID: agm003433293 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1015_spg15
Nd4InIr Nd11In9Ir4
2022-02-13 09:09:53.112161
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003433293).
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 agm003433293
data_agm003433293
_cell_length_a 8.05812
_cell_length_b 6.89118
_cell_length_c 8.09110
_cell_angle_alpha 84.02168
_cell_angle_beta 79.73865
_cell_angle_gamma 54.22034
_cell_volume 358.67290
_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 0.45570 0.64030 0.76810 1.00000
Nd2 Nd 0.32547 1.00000 0.17232 1.00000
Nd3 Nd 0.54430 0.35970 0.23190 1.00000
Nd4 Nd 0.90399 0.64030 0.23190 1.00000
Nd5 Nd 0.09601 0.35970 0.76810 1.00000
Nd6 Nd 0.67453 0.00000 0.82768 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
In2 In 0.50000 0.00000 0.50000 1.00000
In3 In 0.12872 0.74256 0.50000 1.00000
In4 In 0.87128 0.25744 0.50000 1.00000
Ir1 Ir 0.70755 0.58490 1.00000 1.00000
Ir2 Ir 0.29245 0.41510 0.00000 1.00000
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