Nd8IrPt2
Alexandria ALEXAlex-ID: agm006012002 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_1400_spg5
Nd5Ir2 Nd7Pt3 Nd
2023-09-27 14:53:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006012002).
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 agm006012002
data_agm006012002
_cell_length_a 6.47893
_cell_length_b 7.73295
_cell_length_c 7.73295
_cell_angle_alpha 111.91350
_cell_angle_beta 101.74481
_cell_angle_gamma 101.74481
_cell_volume 334.83567
_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 0.59460 0.34894 0.08522 1.00000
Nd2 Nd 0.59460 0.08522 0.34894 1.00000
Nd3 Nd 0.17698 0.35596 0.35596 1.00000
Nd4 Nd 0.98048 0.19578 0.80131 1.00000
Nd5 Nd 0.98048 0.80131 0.19578 1.00000
Nd6 Nd 0.79691 0.64998 0.64998 1.00000
Nd7 Nd 0.35276 0.92006 0.65501 1.00000
Nd8 Nd 0.35276 0.65501 0.92006 1.00000
Ir1 Ir 0.19406 0.00906 0.00906 1.00000
Pt1 Pt 0.48802 0.68934 0.32328 1.00000
Pt2 Pt 0.48802 0.32328 0.68934 1.00000
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