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Cu(Sb2Pt)2

Alexandria ALEX

Alex-ID: agm096796795 · Space group: P2/m (#10)

Basic Information

Formula
Cu(Sb2Pt)2
Alex-ID
agm096796795
Elements
3
Sites
7
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
158.25
ų
Cell a
4.2075
Å
Cell b
5.3002
Å
Cell c
7.0966
Å
α angle
90.64
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Cu(Sb2Pt)2
Cu
1.00 · 14.3%
Sb
4.00 · 57.1%
Pt
2.00 · 28.6%

Energy & Stability

Energy above hull
0.1246
eV/atom
Formation energy
-0.2853
eV/atom
Corrected total energy
-34.8227
eV
Raw total energy
-34.8227
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.8874
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_179_spg10

Decomposition

Sb2Pt Cu

Computed at

2025-04-10 17:26:05

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: agm096796795).

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 agm096796795
data_agm096796795
_cell_length_a     4.20745
_cell_length_b     5.30016
_cell_length_c     7.09657
_cell_angle_alpha  90.63544
_cell_angle_beta   90.00026
_cell_angle_gamma  89.99602
_cell_volume       158.24516
_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
  Cu1 Cu 0.99994 0.49995 0.00002 1.00000
  Sb1 Sb 0.49999 0.24219 0.83209 1.00000
  Sb2 Sb 0.99998 0.25602 0.35077 1.00000
  Sb3 Sb 0.00006 0.74400 0.64924 1.00000
  Sb4 Sb 0.50000 0.75787 0.16789 1.00000
  Pt1 Pt 0.00001 0.99998 0.99998 1.00000
  Pt2 Pt 0.50002 1.00000 0.50000 1.00000
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