NdYIn2
Alexandria ALEXAlex-ID: agm034142011 · Space group: Pm-3m (#221)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_12260_spg221
NdYIn2
2024-12-04 17:40:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034142011).
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 agm034142011
data_agm034142011
_cell_length_a 7.63919
_cell_length_b 7.63919
_cell_length_c 7.63919
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 445.80257
_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 0.50000 0.00000 0.00000 1.00000
Nd2 Nd 0.00000 0.00000 0.50000 1.00000
Nd3 Nd 0.00000 0.00000 0.00000 1.00000
Nd4 Nd 0.00000 0.50000 0.00000 1.00000
Y1 Y 0.00000 0.50000 0.50000 1.00000
Y2 Y 0.50000 0.50000 0.00000 1.00000
Y3 Y 0.50000 0.50000 0.50000 1.00000
Y4 Y 0.50000 0.00000 0.50000 1.00000
In1 In 0.25563 0.25563 0.74437 1.00000
In2 In 0.25563 0.74437 0.74437 1.00000
In3 In 0.74437 0.25563 0.25563 1.00000
In4 In 0.74437 0.74437 0.25563 1.00000
In5 In 0.25563 0.25563 0.25563 1.00000
In6 In 0.74437 0.25563 0.74437 1.00000
In7 In 0.25563 0.74437 0.25563 1.00000
In8 In 0.74437 0.74437 0.74437 1.00000
Get direct link