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Yb3Pt4

Alexandria ALEX

Alex-ID: agm005254036 · Space group: R-3 (#148)

Basic Information

Formula
Yb3Pt4
Alex-ID
agm005254036
Elements
2
Sites
14
Space group
R-3 (#148)
Crystal system
trigonal
Volume
288.19
ų
Cell a
7.8720
Å
Cell b
7.8720
Å
Cell c
7.8720
Å
α angle
114.36
°
β angle
114.36
°
γ angle
114.36
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Yb3Pt4
Yb
6.00 · 42.9%
Pt
8.00 · 57.1%

Energy & Stability

Energy above hull
0.1691
eV/atom
Formation energy
-0.9049
eV/atom
Corrected total energy
-70.5283
eV
Raw total energy
-70.5283
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
87.6460
Total magnetisation
2.0242
μB

Additional Information

Prototype ID

A3B4_36_spg148

Decomposition

Yb2Pt3 YbPt

Computed at

2023-05-06 21:32:14.245351

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: agm005254036).

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 agm005254036
data_agm005254036
_cell_length_a     7.87197
_cell_length_b     7.87197
_cell_length_c     7.87197
_cell_angle_alpha  114.36414
_cell_angle_beta   114.36414
_cell_angle_gamma  114.36414
_cell_volume       288.19333
_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
  Yb1 Yb 0.71627 0.59865 0.97227 1.00000
  Yb2 Yb 0.02773 0.28373 0.40135 1.00000
  Yb3 Yb 0.97227 0.71627 0.59865 1.00000
  Yb4 Yb 0.28373 0.40135 0.02773 1.00000
  Yb5 Yb 0.59865 0.97227 0.71627 1.00000
  Yb6 Yb 0.40135 0.02773 0.28373 1.00000
  Pt1 Pt 0.05812 0.55549 0.22308 1.00000
  Pt2 Pt 0.77692 0.94188 0.44451 1.00000
  Pt3 Pt 0.22308 0.05812 0.55549 1.00000
  Pt4 Pt 0.55549 0.22308 0.05812 1.00000
  Pt5 Pt 0.44451 0.77692 0.94188 1.00000
  Pt6 Pt 0.94188 0.44451 0.77692 1.00000
  Pt7 Pt 0.50000 0.50000 0.50000 1.00000
  Pt8 Pt 0.00000 0.00000 0.00000 1.00000
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