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U6In3SnOsPt4

Alexandria ALEX

Alex-ID: agm010640145 · Space group: P-6m2 (#187)

Alexandria Database API

Basic Information

Formula
U6In3SnOsPt4
Alex-ID
agm010640145
Elements
5
Sites
15
Space group
P-6m2 (#187)
Crystal system
hexagonal
Volume
353.64
ų
Cell a
9.4249
Å
Cell b
9.4249
Å
Cell c
4.5971
Å
α angle
90.00
°
β angle
90.00
°
γ angle
120.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
U6In3SnOsPt4
U
6.00 · 40.0%
In
3.00 · 20.0%
Sn
1.00 · 6.7%
Os
1.00 · 6.7%
Pt
4.00 · 26.7%

Energy & Stability

Energy above hull
0.3921
eV/atom
Formation energy
-0.0475
eV/atom
Corrected total energy
-116.3349
eV
Raw total energy
-116.3349
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
39.8643
Total magnetisation
17.5233
μB

Additional Information

Prototype ID

ABC3D4E6_5_spg187

Decomposition

In5SnPt3 U2InSn5 UPt U2Os In

Computed at

2024-07-10 03:34:23.765675

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: agm010640145).

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 agm010640145
data_agm010640145
_cell_length_a     9.42489
_cell_length_b     9.42489
_cell_length_c     4.59708
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  120.00000
_cell_volume       353.64379
_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
  U1 U 0.71100 0.85550 0.00000 1.00000
  U2 U 0.14450 0.85550 0.00000 1.00000
  U3 U 0.14450 0.28900 0.00000 1.00000
  U4 U 0.42371 0.21186 0.50000 1.00000
  U5 U 0.78814 0.21186 0.50000 1.00000
  U6 U 0.78814 0.57629 0.50000 1.00000
  In1 In 0.12864 0.56432 0.50000 1.00000
  In2 In 0.43568 0.56432 0.50000 1.00000
  In3 In 0.43568 0.87136 0.50000 1.00000
  Sn1 Sn 0.00000 0.00000 0.50000 1.00000
  Os1 Os 0.66667 0.33333 0.00000 1.00000
  Pt1 Pt 0.33333 0.66667 0.00000 1.00000
  Pt2 Pt 0.97428 0.48714 0.00000 1.00000
  Pt3 Pt 0.51286 0.48714 0.00000 1.00000
  Pt4 Pt 0.51286 0.02572 0.00000 1.00000
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