Nd6RuPt2I3
Alexandria ALEXAlex-ID: agm034138625 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_125_spg2
Nd6RuPt2I3
2025-02-22 04:17:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034138625).
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 agm034138625
data_agm034138625
_cell_length_a 10.38813
_cell_length_b 10.38813
_cell_length_c 9.48798
_cell_angle_alpha 68.64037
_cell_angle_beta 111.35963
_cell_angle_gamma 156.50208
_cell_volume 378.93581
_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 0.64702 0.35298 0.11120 1.00000
Nd2 Nd 0.32124 0.67876 0.45288 1.00000
Nd3 Nd 0.35298 0.64702 0.88880 1.00000
Nd4 Nd 0.98946 0.01054 0.79354 1.00000
Nd5 Nd 0.01054 0.98946 0.20646 1.00000
Nd6 Nd 0.67876 0.32124 0.54712 1.00000
Ru1 Ru 0.50000 0.50000 0.00000 1.00000
Pt1 Pt 0.16724 0.83276 0.33473 1.00000
Pt2 Pt 0.83276 0.16724 0.66527 1.00000
I1 I 0.50000 0.50000 0.50000 1.00000
I2 I 0.16726 0.83274 0.83214 1.00000
I3 I 0.83274 0.16726 0.16786 1.00000
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