Nd12Y7In
Alexandria ALEXAlex-ID: agm003702001 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB7C12_21_spg148
NdY2 Y2In Nd
2022-04-14 00:43:56.543760
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003702001).
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 agm003702001
data_agm003702001
_cell_length_a 9.38094
_cell_length_b 9.38094
_cell_length_c 9.38094
_cell_angle_alpha 107.47005
_cell_angle_beta 107.47005
_cell_angle_gamma 107.47005
_cell_volume 678.51014
_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 0.77905 0.32078 0.61695 1.00000
Nd2 Nd 0.67922 0.38305 0.22095 1.00000
Nd3 Nd 0.39769 0.06259 0.29409 1.00000
Nd4 Nd 0.93741 0.70591 0.60231 1.00000
Nd5 Nd 0.38305 0.22095 0.67922 1.00000
Nd6 Nd 0.70591 0.60231 0.93741 1.00000
Nd7 Nd 0.29409 0.39769 0.06259 1.00000
Nd8 Nd 0.61695 0.77905 0.32078 1.00000
Nd9 Nd 0.06259 0.29409 0.39769 1.00000
Nd10 Nd 0.60231 0.93741 0.70591 1.00000
Nd11 Nd 0.32078 0.61695 0.77905 1.00000
Nd12 Nd 0.22095 0.67922 0.38305 1.00000
Y1 Y 0.10256 0.68780 0.99263 1.00000
Y2 Y 0.31220 0.00737 0.89744 1.00000
Y3 Y 0.00737 0.89744 0.31220 1.00000
Y4 Y 0.50000 0.50000 0.50000 1.00000
Y5 Y 0.99263 0.10256 0.68780 1.00000
Y6 Y 0.68780 0.99263 0.10256 1.00000
Y7 Y 0.89744 0.31220 0.00737 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
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