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Dy4Ga20Pt11

Alexandria ALEX

Alex-ID: agm008526331 · Space group: C2/m (#12)

Basic Information

Formula
Dy4Ga20Pt11
Alex-ID
agm008526331
Elements
3
Sites
35
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
607.52
ų
Cell a
10.9548
Å
Cell b
10.9548
Å
Cell c
15.8993
Å
α angle
56.33
°
β angle
123.67
°
γ angle
157.29
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy4Ga20Pt11
Dy
4.00 · 11.4%
Ga
20.00 · 57.1%
Pt
11.00 · 31.4%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.7683
eV/atom
Corrected total energy
-172.9042
eV
Raw total energy
-172.9042
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0046
eV
DOS at Fermi level
8.0661
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A4B11C20_0_spg12

Decomposition

Dy4Ga20Pt11

Computed at

2025-01-20 20:15:27

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: agm008526331).

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 agm008526331
data_agm008526331
_cell_length_a     10.95479
_cell_length_b     10.95479
_cell_length_c     15.89935
_cell_angle_alpha  56.32991
_cell_angle_beta   123.67009
_cell_angle_gamma  157.29106
_cell_volume       607.51997
_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 0.87785 0.12215 0.16509 1.00000
  Dy2 Dy 0.22364 0.77636 0.32036 1.00000
  Dy3 Dy 0.12215 0.87785 0.83491 1.00000
  Dy4 Dy 0.77636 0.22364 0.67964 1.00000
  Ga1 Ga 0.89628 0.10372 0.95234 1.00000
  Ga2 Ga 0.26155 0.73845 0.80244 1.00000
  Ga3 Ga 0.38758 0.61242 0.80003 1.00000
  Ga4 Ga 0.06658 0.93342 0.31000 1.00000
  Ga5 Ga 0.93342 0.06658 0.69000 1.00000
  Ga6 Ga 0.00915 0.99085 0.59008 1.00000
  Ga7 Ga 0.39762 0.60238 0.49343 1.00000
  Ga8 Ga 0.45516 0.54484 0.12707 1.00000
  Ga9 Ga 0.99085 0.00915 0.40992 1.00000
  Ga10 Ga 0.54484 0.45516 0.87293 1.00000
  Ga11 Ga 0.10372 0.89628 0.04766 1.00000
  Ga12 Ga 0.73845 0.26155 0.19756 1.00000
  Ga13 Ga 0.79917 0.20083 0.49305 1.00000
  Ga14 Ga 0.30198 0.69802 0.00432 1.00000
  Ga15 Ga 0.36418 0.63582 0.29330 1.00000
  Ga16 Ga 0.60238 0.39762 0.50657 1.00000
  Ga17 Ga 0.63582 0.36418 0.70670 1.00000
  Ga18 Ga 0.61242 0.38758 0.19997 1.00000
  Ga19 Ga 0.20083 0.79917 0.50695 1.00000
  Ga20 Ga 0.69802 0.30198 0.99568 1.00000
  Pt1 Pt 0.85918 0.14082 0.38462 1.00000
  Pt2 Pt 0.02699 0.97301 0.12893 1.00000
  Pt3 Pt 0.75972 0.24028 0.89114 1.00000
  Pt4 Pt 0.65609 0.34391 0.39467 1.00000
  Pt5 Pt 0.49328 0.50672 0.31862 1.00000
  Pt6 Pt 0.24028 0.75972 0.10886 1.00000
  Pt7 Pt 0.50672 0.49328 0.68138 1.00000
  Pt8 Pt 0.34391 0.65609 0.60533 1.00000
  Pt9 Pt 0.14082 0.85918 0.61538 1.00000
  Pt10 Pt 0.50000 0.50000 0.00000 1.00000
  Pt11 Pt 0.97301 0.02699 0.87107 1.00000
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