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CdPt

Alexandria ALEX

Alex-ID: agm005432033 · Space group: Cm (#8)

Basic Information

Formula
CdPt
Alex-ID
agm005432033
Elements
2
Sites
6
Space group
Cm (#8)
Crystal system
monoclinic
Volume
106.68
ų
Cell a
5.6956
Å
Cell b
5.6956
Å
Cell c
6.8036
Å
α angle
75.07
°
β angle
75.07
°
γ angle
30.10
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CdPt
Cd
3.00 · 50.0%
Pt
3.00 · 50.0%

Energy & Stability

Energy above hull
0.1279
eV/atom
Formation energy
-0.1683
eV/atom
Corrected total energy
-22.0447
eV
Raw total energy
-22.0447
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0024
eV
DOS at Fermi level
2.9908
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB_1692_spg8

Decomposition

CdPt

Computed at

2023-03-19 08:12:30.440785

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: agm005432033).

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 agm005432033
data_agm005432033
_cell_length_a     5.69556
_cell_length_b     5.69556
_cell_length_c     6.80358
_cell_angle_alpha  75.06544
_cell_angle_beta   75.06544
_cell_angle_gamma  30.10270
_cell_volume       106.67992
_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
  Cd1 Cd 0.61169 0.61169 0.26033 1.00000
  Cd2 Cd 0.33904 0.33904 0.33374 1.00000
  Cd3 Cd 0.65937 0.65937 0.68936 1.00000
  Pt1 Pt 0.99399 0.99399 0.99913 1.00000
  Pt2 Pt 0.94522 0.94522 0.60743 1.00000
  Pt3 Pt 0.28403 0.28403 0.94333 1.00000
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