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Yb2InPt2

Alexandria ALEX

Alex-ID: agm002155151 · Space group: C2/c (#15)

Alexandria Database API

Basic Information

Formula
Yb2InPt2
Alex-ID
agm002155151
Elements
3
Sites
10
Space group
C2/c (#15)
Crystal system
monoclinic
Volume
223.06
ų
Cell a
5.6120
Å
Cell b
5.7816
Å
Cell c
8.1588
Å
α angle
103.50
°
β angle
90.00
°
γ angle
119.03
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Yb2InPt2
Yb
4.00 · 40.0%
Pt
4.00 · 40.0%
In
2.00 · 20.0%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-1.0142
eV/atom
Corrected total energy
-45.8862
eV
Raw total energy
-45.8862
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0669
eV
DOS at Fermi level
2.2269
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2_18_spg15

Decomposition

Yb2InPt2

Computed at

2018-06-06 02:54:26

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: agm002155151).

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 agm002155151
data_agm002155151
_cell_length_a     5.61201
_cell_length_b     5.78159
_cell_length_c     8.15879
_cell_angle_alpha  103.49697
_cell_angle_beta   90.00000
_cell_angle_gamma  119.03443
_cell_volume       223.05570
_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 0.19845 0.70199 0.34988 1.00000
  Yb2 Yb 0.49647 0.29801 0.15012 1.00000
  Yb3 Yb 0.80155 0.29801 0.65012 1.00000
  Yb4 Yb 0.50353 0.70199 0.84988 1.00000
  Pt1 Pt 0.00260 0.72857 0.99673 1.00000
  Pt2 Pt 0.27402 0.27143 0.50327 1.00000
  Pt3 Pt 0.99740 0.27143 0.00327 1.00000
  Pt4 Pt 0.72598 0.72857 0.49673 1.00000
  In1 In 0.83431 0.00000 0.25000 1.00000
  In2 In 0.16569 0.00000 0.75000 1.00000
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