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Dy2B4Pt5

Alexandria ALEX

Alex-ID: agm002254792 · Space group: P-1 (#2)

Basic Information

Formula
Dy2B4Pt5
Alex-ID
agm002254792
Elements
3
Sites
11
Space group
P-1 (#2)
Crystal system
triclinic
Volume
166.64
ų
Cell a
5.4786
Å
Cell b
5.6033
Å
Cell c
6.4506
Å
α angle
75.47
°
β angle
71.80
°
γ angle
63.32
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2B4Pt5
B
4.00 · 36.4%
Pt
5.00 · 45.5%
Dy
2.00 · 18.2%

Energy & Stability

Energy above hull
0.1430
eV/atom
Formation energy
-0.6211
eV/atom
Corrected total energy
-73.1895
eV
Raw total energy
-73.1895
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0109
eV
DOS at Fermi level
3.4522
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B4C5_22_spg12

Decomposition

DyBPt2 Dy2BPt6 B

Computed at

2019-01-10 08:04:35

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: agm002254792).

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 agm002254792
data_agm002254792
_cell_length_a     5.47861
_cell_length_b     5.60330
_cell_length_c     6.45062
_cell_angle_alpha  75.46877
_cell_angle_beta   71.79651
_cell_angle_gamma  63.31608
_cell_volume       166.64468
_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
  B1 B 0.44784 0.08960 0.12533 1.00000
  B2 B 0.55216 0.91040 0.87467 1.00000
  B3 B 0.76006 0.59235 0.83349 1.00000
  B4 B 0.23994 0.40765 0.16651 1.00000
  Pt1 Pt 0.15777 0.27295 0.88818 1.00000
  Pt2 Pt 0.84223 0.72705 0.11182 1.00000
  Pt3 Pt 0.00000 0.50000 0.50000 1.00000
  Pt4 Pt 0.71797 0.22242 0.80403 1.00000
  Pt5 Pt 0.28203 0.77758 0.19597 1.00000
  Dy1 Dy 0.28273 0.77440 0.67188 1.00000
  Dy2 Dy 0.71727 0.22560 0.32812 1.00000
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