Nd8Sc6Fe
Alexandria ALEXAlex-ID: agm072010839 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_578_spg1
Sc3Fe Nd Sc
2024-10-11 13:13:33.063179
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072010839).
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 agm072010839
data_agm072010839
_cell_length_a 6.14730
_cell_length_b 7.96776
_cell_length_c 9.34719
_cell_angle_alpha 90.05952
_cell_angle_beta 88.28664
_cell_angle_gamma 74.17034
_cell_volume 440.24747
_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 0.13988 0.96595 0.19148 1.00000
Nd2 Nd 0.12907 0.48004 0.74589 1.00000
Nd3 Nd 0.73364 0.74065 0.13077 1.00000
Nd4 Nd 0.43633 0.58596 0.43712 1.00000
Nd5 Nd 0.28640 0.06692 0.60360 1.00000
Nd6 Nd 0.55131 0.69013 0.80552 1.00000
Nd7 Nd 0.87979 0.84261 0.51404 1.00000
Nd8 Nd 0.01468 0.38689 0.35917 1.00000
Sc1 Sc 0.84514 0.32055 0.00476 1.00000
Sc2 Sc 0.97669 0.92508 0.85857 1.00000
Sc3 Sc 0.57933 0.18018 0.28198 1.00000
Sc4 Sc 0.44762 0.12854 0.94091 1.00000
Sc5 Sc 0.30392 0.51383 0.08364 1.00000
Sc6 Sc 0.71024 0.26393 0.67014 1.00000
Fe1 Fe 0.48897 0.90664 0.36282 1.00000
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