Nd4SmSc2
Alexandria ALEXAlex-ID: agm005990019 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_3203_spg63
Nd3Sm5 Nd Sc
2023-10-15 22:01:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005990019).
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 agm005990019
data_agm005990019
_cell_length_a 7.85077
_cell_length_b 7.85077
_cell_length_c 18.51880
_cell_angle_alpha 95.08194
_cell_angle_beta 95.08193
_cell_angle_gamma 153.67285
_cell_volume 466.34243
_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 0.39724 0.27136 0.41536 1.00000
Nd2 Nd 0.98337 0.32394 0.07548 1.00000
Nd3 Nd 0.67606 0.01663 0.42452 1.00000
Nd4 Nd 0.72864 0.60276 0.08464 1.00000
Nd5 Nd 0.27136 0.39724 0.91536 1.00000
Nd6 Nd 0.32394 0.98337 0.57548 1.00000
Nd7 Nd 0.01663 0.67606 0.92452 1.00000
Nd8 Nd 0.60276 0.72864 0.58464 1.00000
Sm1 Sm 0.90127 0.09873 0.25000 1.00000
Sm2 Sm 0.09873 0.90127 0.75000 1.00000
Sc1 Sc 0.43009 0.56991 0.75000 1.00000
Sc2 Sc 0.77370 0.22630 0.75000 1.00000
Sc3 Sc 0.56991 0.43009 0.25000 1.00000
Sc4 Sc 0.22630 0.77370 0.25000 1.00000
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