Dy36In5Co13
Alexandria ALEXAlex-ID: agm009265644 · Space group: C2/m (#12)
Basic Information
Formula
Dy36In5Co13
Alex-ID
agm009265644
Elements
3
Sites
54
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
1,338.97
ų
Cell a
8.3410
Å
Cell b
8.3410
Å
Cell c
21.5513
Å
α angle
76.57
°
β angle
76.57
°
γ angle
68.52
°
Composition
Element Composition (atomic fraction)
Composition Info
Formula
Dy36In5Co13
Dy
36.00 · 66.7%
In
5.00 · 9.3%
Co
13.00 · 24.1%
Energy & Stability
Energy above hull
0.0037
eV/atom
Formation energy
-0.2523
eV/atom
Corrected total energy
-285.8136
eV
Raw total energy
-285.8136
eV
Electronic Structure
Indirect band gap
0.0000
eV
Direct band gap
0.0120
eV
DOS at Fermi level
44.4134
Total magnetisation
0.0000
μB
Additional Information
Prototype ID
A5B13C36_0_spg12
Decomposition
Dy12InCo5 Dy14(InCo)3 Dy12InCo6
Computed at
2024-11-11 07:15:58.690580
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: agm009265644).
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 agm009265644
data_agm009265644
_cell_length_a 8.34095
_cell_length_b 8.34095
_cell_length_c 21.55128
_cell_angle_alpha 76.57011
_cell_angle_beta 76.57011
_cell_angle_gamma 68.51635
_cell_volume 1338.96513
_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 0.10716 0.10716 0.34042 1.00000
Dy2 Dy 0.43996 0.43996 0.67782 1.00000
Dy3 Dy 0.79940 0.79940 0.00359 1.00000
Dy4 Dy 0.89284 0.89284 0.65958 1.00000
Dy5 Dy 0.20060 0.20060 0.99641 1.00000
Dy6 Dy 0.56004 0.56004 0.32218 1.00000
Dy7 Dy 0.75494 0.75494 0.52002 1.00000
Dy8 Dy 0.07089 0.07089 0.86990 1.00000
Dy9 Dy 0.41948 0.41948 0.18391 1.00000
Dy10 Dy 0.24506 0.24506 0.47998 1.00000
Dy11 Dy 0.58052 0.58052 0.81609 1.00000
Dy12 Dy 0.92911 0.92911 0.13010 1.00000
Dy13 Dy 0.80530 0.42870 0.44067 1.00000
Dy14 Dy 0.15176 0.76437 0.77391 1.00000
Dy15 Dy 0.48556 0.09306 0.10365 1.00000
Dy16 Dy 0.57130 0.19470 0.55933 1.00000
Dy17 Dy 0.90694 0.51444 0.89635 1.00000
Dy18 Dy 0.23563 0.84824 0.22609 1.00000
Dy19 Dy 0.19470 0.57130 0.55933 1.00000
Dy20 Dy 0.51444 0.90694 0.89635 1.00000
Dy21 Dy 0.84824 0.23563 0.22609 1.00000
Dy22 Dy 0.42870 0.80530 0.44067 1.00000
Dy23 Dy 0.76437 0.15176 0.77391 1.00000
Dy24 Dy 0.09306 0.48556 0.10365 1.00000
Dy25 Dy 0.32122 0.89225 0.60538 1.00000
Dy26 Dy 0.64388 0.22790 0.94074 1.00000
Dy27 Dy 0.98106 0.56357 0.26786 1.00000
Dy28 Dy 0.10775 0.67878 0.39462 1.00000
Dy29 Dy 0.43643 0.01894 0.73214 1.00000
Dy30 Dy 0.77210 0.35612 0.05926 1.00000
Dy31 Dy 0.89225 0.32122 0.60538 1.00000
Dy32 Dy 0.22790 0.64388 0.94074 1.00000
Dy33 Dy 0.56357 0.98106 0.26786 1.00000
Dy34 Dy 0.67878 0.10775 0.39462 1.00000
Dy35 Dy 0.01894 0.43643 0.73214 1.00000
Dy36 Dy 0.35612 0.77210 0.05926 1.00000
In1 In 0.00000 0.00000 0.50000 1.00000
In2 In 0.33055 0.33055 0.83591 1.00000
In3 In 0.66945 0.66945 0.16409 1.00000
In4 In 0.33315 0.33315 0.33173 1.00000
In5 In 0.66685 0.66685 0.66827 1.00000
Co1 Co 0.44682 0.44682 0.44646 1.00000
Co2 Co 0.78750 0.78750 0.78940 1.00000
Co3 Co 0.13132 0.13132 0.12903 1.00000
Co4 Co 0.55318 0.55318 0.55354 1.00000
Co5 Co 0.86868 0.86868 0.87097 1.00000
Co6 Co 0.21250 0.21250 0.21060 1.00000
Co7 Co 0.00000 0.00000 0.00000 1.00000
Co8 Co 0.75354 0.75354 0.36870 1.00000
Co9 Co 0.09092 0.09092 0.70073 1.00000
Co10 Co 0.42808 0.42808 0.04016 1.00000
Co11 Co 0.24646 0.24646 0.63130 1.00000
Co12 Co 0.57192 0.57192 0.95984 1.00000
Co13 Co 0.90908 0.90908 0.29927 1.00000
