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Co6OsPt

Alexandria ALEX

Alex-ID: agm006218596 · Space group: Cmmm (#65)

Basic Information

Formula
Co6OsPt
Alex-ID
agm006218596
Elements
3
Sites
32
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
379.13
ų
Cell a
6.2681
Å
Cell b
6.2681
Å
Cell c
10.2305
Å
α angle
90.00
°
β angle
90.00
°
γ angle
109.40
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Co6OsPt
Co
24.00 · 75.0%
Os
4.00 · 12.5%
Pt
4.00 · 12.5%

Energy & Stability

Energy above hull
0.1368
eV/atom
Formation energy
0.0970
eV/atom
Corrected total energy
-237.1379
eV
Raw total energy
-237.1379
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0022
eV
DOS at Fermi level
46.0083
Total magnetisation
30.5406
μB

Additional Information

Prototype ID

ABC6_17_spg65

Decomposition

Co3Pt Co Os

Computed at

2023-12-05 22:50:40.044253

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: agm006218596).

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 agm006218596
data_agm006218596
_cell_length_a     6.26806
_cell_length_b     6.26806
_cell_length_c     10.23049
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  109.39535
_cell_volume       379.13074
_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
  Co1 Co 0.24780 0.75220 0.49565 1.00000
  Co2 Co 0.87694 0.63013 0.62273 1.00000
  Co3 Co 0.12306 0.36987 0.62273 1.00000
  Co4 Co 0.75220 0.24780 0.49565 1.00000
  Co5 Co 0.36987 0.12306 0.62273 1.00000
  Co6 Co 0.63013 0.87694 0.62273 1.00000
  Co7 Co 0.50000 0.50000 0.25000 1.00000
  Co8 Co 0.12002 0.37326 0.37200 1.00000
  Co9 Co 0.37326 0.12002 0.37200 1.00000
  Co10 Co 0.24780 0.75220 0.00435 1.00000
  Co11 Co 0.87998 0.62674 0.12800 1.00000
  Co12 Co 0.12002 0.37326 0.12800 1.00000
  Co13 Co 0.75220 0.24780 0.00435 1.00000
  Co14 Co 0.37326 0.12002 0.12800 1.00000
  Co15 Co 0.62674 0.87998 0.12800 1.00000
  Co16 Co 0.50000 0.50000 0.75000 1.00000
  Co17 Co 0.12306 0.36987 0.87727 1.00000
  Co18 Co 0.36987 0.12306 0.87727 1.00000
  Co19 Co 0.00000 0.00000 0.25000 1.00000
  Co20 Co 0.62674 0.87998 0.37200 1.00000
  Co21 Co 0.87998 0.62674 0.37200 1.00000
  Co22 Co 0.00000 0.00000 0.75000 1.00000
  Co23 Co 0.63013 0.87694 0.87727 1.00000
  Co24 Co 0.87694 0.63013 0.87727 1.00000
  Os1 Os 0.24903 0.75097 0.25000 1.00000
  Os2 Os 0.75097 0.24903 0.25000 1.00000
  Os3 Os 0.00000 0.00000 0.49764 1.00000
  Os4 Os 0.00000 0.00000 0.00236 1.00000
  Pt1 Pt 0.25145 0.74855 0.75000 1.00000
  Pt2 Pt 0.74855 0.25145 0.75000 1.00000
  Pt3 Pt 0.50000 0.50000 0.49916 1.00000
  Pt4 Pt 0.50000 0.50000 0.00084 1.00000
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