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Co2Ni9Pt

Alexandria ALEX

Alex-ID: agm101249869 · Space group: P6/mmm (#191)

Alexandria Database API

Basic Information

Formula
Co2Ni9Pt
Alex-ID
agm101249869
Elements
3
Sites
12
Space group
P6/mmm (#191)
Crystal system
hexagonal
Volume
138.02
ų
Cell a
7.9769
Å
Cell b
7.9769
Å
Cell c
2.5045
Å
α angle
90.00
°
β angle
90.00
°
γ angle
120.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Co2Ni9Pt
Co
2.00 · 16.7%
Ni
9.00 · 75.0%
Pt
1.00 · 8.3%

Energy & Stability

Energy above hull
0.0952
eV/atom
Formation energy
0.0694
eV/atom
Corrected total energy
-71.5575
eV
Raw total energy
-71.5575
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
19.1489
Total magnetisation
9.7545
μB

Additional Information

Prototype ID

AB2C9_102_spg65

Decomposition

CoNi3 Ni3Pt

Computed at

2025-05-19 09:26:25

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: agm101249869).

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 agm101249869
data_agm101249869
_cell_length_a     7.97694
_cell_length_b     7.97694
_cell_length_c     2.50453
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  120.00000
_cell_volume       138.01614
_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 0.33333 0.66667 0.00000 1.00000
  Co2 Co 0.66667 0.33333 0.00000 1.00000
  Ni1 Ni 0.17831 0.35661 0.50000 1.00000
  Ni2 Ni 0.00000 0.50000 0.00000 1.00000
  Ni3 Ni 0.50000 0.00000 0.00000 1.00000
  Ni4 Ni 0.17831 0.82169 0.50000 1.00000
  Ni5 Ni 0.82169 0.64339 0.50000 1.00000
  Ni6 Ni 0.35661 0.17831 0.50000 1.00000
  Ni7 Ni 0.82169 0.17831 0.50000 1.00000
  Ni8 Ni 0.50000 0.50000 0.00000 1.00000
  Ni9 Ni 0.64339 0.82169 0.50000 1.00000
  Pt1 Pt 0.00000 0.00000 0.00000 1.00000
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