Dy36In5Ni13
Alexandria ALEXAlex-ID: agm009265690 · Space group: C2/m (#12)
Basic Information
Formula
Dy36In5Ni13
Alex-ID
agm009265690
Elements
3
Sites
54
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
1,359.64
ų
Cell a
8.3908
Å
Cell b
8.3908
Å
Cell c
21.7813
Å
α angle
76.33
°
β angle
76.33
°
γ angle
67.64
°
Composition
Element Composition (atomic fraction)
Composition Info
Formula
Dy36In5Ni13
Dy
36.00 · 66.7%
In
5.00 · 9.3%
Ni
13.00 · 24.1%
Energy & Stability
Energy above hull
0.0034
eV/atom
Formation energy
-0.3416
eV/atom
Corrected total energy
-273.2181
eV
Raw total energy
-273.2181
eV
Electronic Structure
Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
50.9418
Total magnetisation
0.0000
μB
Additional Information
Prototype ID
A5B13C36_0_spg12
Decomposition
Dy12InNi5 Dy4InNi
Computed at
2024-10-16 05:03:42.937515
Citation
Alexandria website
https://alexandria.icams.rub.de/
Attribution
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009265690).
Reference
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
BibTeX
@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
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Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm009265690
data_agm009265690
_cell_length_a 8.39083
_cell_length_b 8.39083
_cell_length_c 21.78134
_cell_angle_alpha 76.33290
_cell_angle_beta 76.33290
_cell_angle_gamma 67.63707
_cell_volume 1359.63972
_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
Dy1 Dy 0.10859 0.10859 0.84275 1.00000
Dy2 Dy 0.44226 0.44226 0.17676 1.00000
Dy3 Dy 0.79839 0.79839 0.50488 1.00000
Dy4 Dy 0.89141 0.89141 0.15725 1.00000
Dy5 Dy 0.20161 0.20161 0.49512 1.00000
Dy6 Dy 0.55774 0.55774 0.82324 1.00000
Dy7 Dy 0.75343 0.75343 0.02218 1.00000
Dy8 Dy 0.07087 0.07087 0.36968 1.00000
Dy9 Dy 0.42594 0.42594 0.68408 1.00000
Dy10 Dy 0.24657 0.24657 0.97782 1.00000
Dy11 Dy 0.57406 0.57406 0.31592 1.00000
Dy12 Dy 0.92913 0.92913 0.63032 1.00000
Dy13 Dy 0.81189 0.42473 0.94065 1.00000
Dy14 Dy 0.14438 0.75648 0.27618 1.00000
Dy15 Dy 0.47954 0.09019 0.60692 1.00000
Dy16 Dy 0.57527 0.18811 0.05935 1.00000
Dy17 Dy 0.90981 0.52046 0.39308 1.00000
Dy18 Dy 0.24352 0.85562 0.72382 1.00000
Dy19 Dy 0.18811 0.57527 0.05935 1.00000
Dy20 Dy 0.52046 0.90981 0.39308 1.00000
Dy21 Dy 0.85562 0.24352 0.72382 1.00000
Dy22 Dy 0.42473 0.81189 0.94065 1.00000
Dy23 Dy 0.75648 0.14438 0.27618 1.00000
Dy24 Dy 0.09019 0.47954 0.60692 1.00000
Dy25 Dy 0.31632 0.89627 0.10588 1.00000
Dy26 Dy 0.63939 0.23074 0.44265 1.00000
Dy27 Dy 0.98195 0.57083 0.76835 1.00000
Dy28 Dy 0.10373 0.68368 0.89412 1.00000
Dy29 Dy 0.42917 0.01805 0.23165 1.00000
Dy30 Dy 0.76926 0.36061 0.55735 1.00000
Dy31 Dy 0.89627 0.31632 0.10588 1.00000
Dy32 Dy 0.23074 0.63939 0.44265 1.00000
Dy33 Dy 0.57083 0.98195 0.76835 1.00000
Dy34 Dy 0.68368 0.10373 0.89412 1.00000
Dy35 Dy 0.01805 0.42917 0.23165 1.00000
Dy36 Dy 0.36061 0.76926 0.55735 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
In2 In 0.32914 0.32914 0.33443 1.00000
In3 In 0.67086 0.67086 0.66557 1.00000
In4 In 0.33301 0.33301 0.82944 1.00000
In5 In 0.66699 0.66699 0.17056 1.00000
Ni1 Ni 0.45246 0.45246 0.95184 1.00000
Ni2 Ni 0.77785 0.77785 0.28181 1.00000
Ni3 Ni 0.12773 0.12773 0.62467 1.00000
Ni4 Ni 0.54754 0.54754 0.04816 1.00000
Ni5 Ni 0.87227 0.87227 0.37533 1.00000
Ni6 Ni 0.22215 0.22215 0.71819 1.00000
Ni7 Ni 0.00000 0.00000 0.50000 1.00000
Ni8 Ni 0.75317 0.75317 0.87323 1.00000
Ni9 Ni 0.08088 0.08088 0.20574 1.00000
Ni10 Ni 0.42022 0.42022 0.54377 1.00000
Ni11 Ni 0.24683 0.24683 0.12677 1.00000
Ni12 Ni 0.57978 0.57978 0.45623 1.00000
Ni13 Ni 0.91912 0.91912 0.79426 1.00000
