Nd6AlIn5
Alexandria ALEXAlex-ID: agm006115532 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_95_spg12
NdAl NdIn
2023-09-16 02:12:44.609159
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006115532).
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 agm006115532
data_agm006115532
_cell_length_a 5.44782
_cell_length_b 7.71276
_cell_length_c 8.61438
_cell_angle_alpha 89.99963
_cell_angle_beta 71.55674
_cell_angle_gamma 89.99855
_cell_volume 343.36551
_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 0.83612 0.75226 0.32804 1.00000
Nd2 Nd 0.83606 0.24774 0.32804 1.00000
Nd3 Nd 0.50004 0.24492 0.00000 1.00000
Nd4 Nd 0.49996 0.75508 1.00000 1.00000
Nd5 Nd 0.16394 0.75226 0.67196 1.00000
Nd6 Nd 0.16388 0.24774 0.67196 1.00000
Al1 Al 0.00000 0.00000 0.00000 1.00000
In1 In 0.66770 0.50000 0.66434 1.00000
In2 In 0.33177 1.00000 0.33672 1.00000
In3 In 0.00000 0.50000 0.00000 1.00000
In4 In 0.66823 0.00000 0.66328 1.00000
In5 In 0.33230 0.50000 0.33566 1.00000
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