Nd5Ho5Sc2
Alexandria ALEXAlex-ID: agm005663874 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_18_spg12
Nd NdHo2 Sc
2023-06-19 06:29:14.508852
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005663874).
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 agm005663874
data_agm005663874
_cell_length_a 5.01035
_cell_length_b 7.92438
_cell_length_c 10.65385
_cell_angle_alpha 72.60601
_cell_angle_beta 76.39997
_cell_angle_gamma 71.57064
_cell_volume 378.30574
_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 0.83734 0.82668 0.49865 1.00000
Nd2 Nd 0.25369 0.74265 0.74998 1.00000
Nd3 Nd 0.74631 0.25735 0.25002 1.00000
Nd4 Nd 0.16266 0.17332 0.50135 1.00000
Nd5 Nd 0.00000 0.00000 0.00000 1.00000
Ho1 Ho 0.50000 0.50000 0.50000 1.00000
Ho2 Ho 0.33214 0.33553 0.00020 1.00000
Ho3 Ho 0.42023 0.91035 0.24919 1.00000
Ho4 Ho 0.57977 0.08965 0.75081 1.00000
Ho5 Ho 0.66786 0.66447 0.99980 1.00000
Sc1 Sc 0.91638 0.41295 0.75429 1.00000
Sc2 Sc 0.08362 0.58705 0.24571 1.00000
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