Nd6ErIn5
Alexandria ALEXAlex-ID: agm006115889 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_50_spg71
Nd2In Er2In NdIn
2023-08-28 07:02:10.752068
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006115889).
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 agm006115889
data_agm006115889
_cell_length_a 5.07164
_cell_length_b 9.11027
_cell_length_c 9.26694
_cell_angle_alpha 119.44216
_cell_angle_beta 105.88085
_cell_angle_gamma 90.00045
_cell_volume 353.98698
_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
In1 In 0.65248 0.15248 0.30497 1.00000
In2 In 0.32809 0.32809 0.65617 1.00000
In3 In 0.00000 0.50000 0.00000 1.00000
In4 In 0.67191 0.67191 0.34383 1.00000
In5 In 0.34752 0.84752 0.69503 1.00000
Nd1 Nd 0.82929 0.56892 0.65853 1.00000
Nd2 Nd 0.82924 0.08961 0.65853 1.00000
Nd3 Nd 0.50001 0.73434 0.00000 1.00000
Nd4 Nd 0.49999 0.26566 1.00000 1.00000
Nd5 Nd 0.17076 0.91039 0.34147 1.00000
Nd6 Nd 0.17071 0.43108 0.34147 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
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