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Dy7Co6Sn23

Alexandria ALEX

Alex-ID: agm003244012 · Space group: P-3m1 (#164)

Basic Information

Formula
Dy7Co6Sn23
Alex-ID
agm003244012
Elements
3
Sites
36
Space group
P-3m1 (#164)
Crystal system
trigonal
Volume
809.99
ų
Cell a
9.7083
Å
Cell b
9.7083
Å
Cell c
9.9234
Å
α angle
90.00
°
β angle
90.00
°
γ angle
120.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy7Co6Sn23
Dy
7.00 · 19.4%
Co
6.00 · 16.7%
Sn
23.00 · 63.9%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.4116
eV/atom
Corrected total energy
-181.8517
eV
Raw total energy
-181.8517
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.1353
Total magnetisation
-0.0002
μB

Additional Information

Prototype ID

A6B7C23_0_spg164

Decomposition

Dy7Co6Sn23

Computed at

2021-12-17 08:02:18.523410

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: agm003244012).

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

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm003244012
data_agm003244012
_cell_length_a     9.70830
_cell_length_b     9.70830
_cell_length_c     9.92343
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  120.00000
_cell_volume       809.98897
_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 0.00000 0.00000 0.00000 1.00000
  Dy2 Dy 0.47843 0.52157 0.30695 1.00000
  Dy3 Dy 0.52157 0.47843 0.69305 1.00000
  Dy4 Dy 0.47843 0.95686 0.30695 1.00000
  Dy5 Dy 0.52157 0.04314 0.69305 1.00000
  Dy6 Dy 0.04314 0.52157 0.30695 1.00000
  Dy7 Dy 0.95686 0.47843 0.69305 1.00000
  Co1 Co 0.83188 0.16812 0.19789 1.00000
  Co2 Co 0.16812 0.83188 0.80211 1.00000
  Co3 Co 0.83188 0.66376 0.19789 1.00000
  Co4 Co 0.16812 0.33624 0.80211 1.00000
  Co5 Co 0.33624 0.16812 0.19789 1.00000
  Co6 Co 0.66376 0.83188 0.80211 1.00000
  Sn1 Sn 0.34657 1.00000 0.00000 1.00000
  Sn2 Sn 0.65343 0.00000 0.00000 1.00000
  Sn3 Sn 1.00000 0.34657 0.00000 1.00000
  Sn4 Sn 0.00000 0.65343 0.00000 1.00000
  Sn5 Sn 0.65343 0.65343 0.00000 1.00000
  Sn6 Sn 0.34657 0.34657 0.00000 1.00000
  Sn7 Sn 0.33333 0.66667 0.81976 1.00000
  Sn8 Sn 0.66667 0.33333 0.18024 1.00000
  Sn9 Sn 0.00000 0.00000 0.50000 1.00000
  Sn10 Sn 0.78215 0.21785 0.45265 1.00000
  Sn11 Sn 0.21785 0.78215 0.54735 1.00000
  Sn12 Sn 0.78215 0.56431 0.45265 1.00000
  Sn13 Sn 0.21785 0.43569 0.54735 1.00000
  Sn14 Sn 0.43569 0.21785 0.45265 1.00000
  Sn15 Sn 0.56431 0.78215 0.54735 1.00000
  Sn16 Sn 0.33333 0.66667 0.11529 1.00000
  Sn17 Sn 0.66667 0.33333 0.88471 1.00000
  Sn18 Sn 0.11724 0.88276 0.27344 1.00000
  Sn19 Sn 0.88276 0.11724 0.72656 1.00000
  Sn20 Sn 0.11724 0.23449 0.27344 1.00000
  Sn21 Sn 0.88276 0.76551 0.72656 1.00000
  Sn22 Sn 0.76551 0.88276 0.27344 1.00000
  Sn23 Sn 0.23449 0.11724 0.72656 1.00000
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