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YIn5Pt4

Alexandria ALEX

Alex-ID: agm006077367 · Space group: C2/m (#12)

Basic Information

Formula
YIn5Pt4
Alex-ID
agm006077367
Elements
3
Sites
10
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
217.23
ų
Cell a
4.7331
Å
Cell b
6.7642
Å
Cell c
7.8928
Å
α angle
114.43
°
β angle
107.45
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
YIn5Pt4
Y
1.00 · 10.0%
In
5.00 · 50.0%
Pt
4.00 · 40.0%

Energy & Stability

Energy above hull
0.1425
eV/atom
Formation energy
-0.4978
eV/atom
Corrected total energy
-49.6416
eV
Raw total energy
-49.6416
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0100
eV
DOS at Fermi level
3.5375
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C5_449_spg12

Decomposition

YInPt2 In2Pt

Computed at

2023-10-18 09:17:48

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: agm006077367).

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 agm006077367
data_agm006077367
_cell_length_a     4.73305
_cell_length_b     6.76423
_cell_length_c     7.89276
_cell_angle_alpha  114.43356
_cell_angle_beta   107.44771
_cell_angle_gamma  89.99999
_cell_volume       217.22584
_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
  Y1 Y 0.50000 0.00000 0.00000 1.00000
  In1 In 0.82629 0.32132 0.65259 1.00000
  In2 In 0.83490 0.83343 0.66980 1.00000
  In3 In 0.16510 0.16657 0.33020 1.00000
  In4 In 0.50000 0.50000 0.00000 1.00000
  In5 In 0.17371 0.67868 0.34741 1.00000
  Pt1 Pt 0.33415 0.57955 0.66830 1.00000
  Pt2 Pt 0.00946 0.74630 0.01892 1.00000
  Pt3 Pt 0.66585 0.42045 0.33170 1.00000
  Pt4 Pt 0.99054 0.25370 0.98108 1.00000
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