Sc8In21Fe11
Alexandria ALEXAlex-ID: agm009690151 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A8B11C21_2_spg1
Sc3In7 ScIn3 Fe
2024-07-19 20:55:42.691097
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009690151).
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 agm009690151
data_agm009690151
_cell_length_a 6.96588
_cell_length_b 11.07962
_cell_length_c 10.96268
_cell_angle_alpha 90.14824
_cell_angle_beta 90.40225
_cell_angle_gamma 103.66337
_cell_volume 822.11952
_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
Sc1 Sc 0.62150 0.11696 0.75311 1.00000
Sc2 Sc 0.65961 0.89723 0.26250 1.00000
Sc3 Sc 0.39372 0.37718 0.26874 1.00000
Sc4 Sc 0.34806 0.60399 0.77302 1.00000
Sc5 Sc 0.62990 0.31748 0.50026 1.00000
Sc6 Sc 0.59202 0.75784 0.52315 1.00000
Sc7 Sc 0.41937 0.71346 0.04203 1.00000
Sc8 Sc 0.35677 0.17618 0.99529 1.00000
In1 In 0.34139 0.43644 0.99936 1.00000
In2 In 0.01208 0.95166 0.48358 1.00000
In3 In 0.00544 0.55315 0.97156 1.00000
In4 In 0.66153 0.04956 0.48642 1.00000
In5 In 0.68135 0.83529 0.79266 1.00000
In6 In 0.64648 0.19068 0.22223 1.00000
In7 In 0.94969 0.72673 0.32009 1.00000
In8 In 0.98275 0.38230 0.69513 1.00000
In9 In 0.36877 0.31442 0.72216 1.00000
In10 In 0.35207 0.63954 0.30967 1.00000
In11 In 0.21844 0.85615 0.86017 1.00000
In12 In 0.03962 0.13391 0.20221 1.00000
In13 In 0.92708 0.24841 0.96004 1.00000
In14 In 0.87132 0.78965 0.05360 1.00000
In15 In 0.09155 0.25364 0.46772 1.00000
In16 In 0.12808 0.67123 0.55953 1.00000
In17 In 0.93732 0.44770 0.28008 1.00000
In18 In 0.72496 0.56308 0.67042 1.00000
In19 In 0.25953 0.93267 0.16777 1.00000
In20 In 0.07572 0.06227 0.74800 1.00000
In21 In 0.62281 0.99883 0.00559 1.00000
Fe1 Fe 0.68450 0.39142 0.86194 1.00000
Fe2 Fe 0.65678 0.58303 0.16354 1.00000
Fe3 Fe 0.33426 0.10522 0.35972 1.00000
Fe4 Fe 0.36012 0.90303 0.62885 1.00000
Fe5 Fe 0.68327 0.39227 0.07449 1.00000
Fe6 Fe 0.65777 0.59849 0.92597 1.00000
Fe7 Fe 0.33107 0.87818 0.40903 1.00000
Fe8 Fe 0.34473 0.10763 0.57136 1.00000
Fe9 Fe 0.64613 0.54358 0.40432 1.00000
Fe10 Fe 0.36769 0.48459 0.52460 1.00000
Fe11 Fe 0.01473 0.01493 0.98008 1.00000
