NdSm7Sc4
Alexandria ALEXAlex-ID: agm003667973 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_86_spg12
NdSm5 Sm Sc
2022-04-27 20:21:31.055403
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003667973).
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 agm003667973
data_agm003667973
_cell_length_a 5.84231
_cell_length_b 9.26731
_cell_length_c 8.31374
_cell_angle_alpha 65.10191
_cell_angle_beta 69.42922
_cell_angle_gamma 71.62649
_cell_volume 374.76824
_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 0.00000 0.00000 0.00000 1.00000
Sm1 Sm 0.78758 0.88505 0.53979 1.00000
Sm2 Sm 0.21242 0.11495 0.46021 1.00000
Sm3 Sm 0.09067 0.54557 0.27309 1.00000
Sm4 Sm 0.90933 0.45443 0.72691 1.00000
Sm5 Sm 0.23528 0.72846 0.80098 1.00000
Sm6 Sm 0.50000 0.00000 0.00000 1.00000
Sm7 Sm 0.76472 0.27154 0.19902 1.00000
Sc1 Sc 0.55770 0.30259 0.58202 1.00000
Sc2 Sc 0.44230 0.69741 0.41798 1.00000
Sc3 Sc 0.66372 0.64655 0.02600 1.00000
Sc4 Sc 0.33628 0.35345 0.97400 1.00000
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