Nd5Sc2Sb5
Alexandria ALEXAlex-ID: agm003374447 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_20_spg12
NdScSb NdSb
2022-02-08 21:06:18.356582
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003374447).
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 agm003374447
data_agm003374447
_cell_length_a 4.42329
_cell_length_b 7.61538
_cell_length_c 12.54699
_cell_angle_alpha 110.62159
_cell_angle_beta 90.00000
_cell_angle_gamma 106.88301
_cell_volume 376.04031
_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 0.50000 1.00000
Nd2 Nd 0.66268 0.32535 0.03862 1.00000
Nd3 Nd 0.73096 0.46192 0.34849 1.00000
Nd4 Nd 0.26904 0.53808 0.65151 1.00000
Nd5 Nd 0.33732 0.67465 0.96138 1.00000
Sc1 Sc 0.05179 0.10358 0.79712 1.00000
Sc2 Sc 0.94821 0.89642 0.20288 1.00000
Sb1 Sb 0.10972 0.21943 0.41253 1.00000
Sb2 Sb 0.67918 0.35835 0.78309 1.00000
Sb3 Sb 0.32082 0.64165 0.21691 1.00000
Sb4 Sb 0.89028 0.78057 0.58747 1.00000
Sb5 Sb 0.00000 0.00000 0.00000 1.00000
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