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Co5(Ni6Pt)2

Alexandria ALEX

Alex-ID: agm005674565 · Space group: C2/m (#12)

Basic Information

Formula
Co5(Ni6Pt)2
Alex-ID
agm005674565
Elements
3
Sites
19
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
221.97
ų
Cell a
4.5893
Å
Cell b
7.4178
Å
Cell c
7.4178
Å
α angle
64.67
°
β angle
78.65
°
γ angle
78.65
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Co5(Ni6Pt)2
Co
5.00 · 26.3%
Ni
12.00 · 63.2%
Pt
2.00 · 10.5%

Energy & Stability

Energy above hull
0.1383
eV/atom
Formation energy
0.1050
eV/atom
Corrected total energy
-115.2070
eV
Raw total energy
-115.2069
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0010
eV
DOS at Fermi level
29.0645
Total magnetisation
17.4496
μB

Additional Information

Prototype ID

A2B5C12_200_spg12

Decomposition

CoNi3 Ni3Pt Co3Pt

Computed at

2023-06-23 05:51:44.190606

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: agm005674565).

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 agm005674565
data_agm005674565
_cell_length_a     4.58932
_cell_length_b     7.41783
_cell_length_c     7.41783
_cell_angle_alpha  64.67054
_cell_angle_beta   78.64740
_cell_angle_gamma  78.64740
_cell_volume       221.96654
_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 0.53643 0.21811 0.21811 1.00000
  Co2 Co 0.83730 0.35373 0.35373 1.00000
  Co3 Co 0.50000 0.00000 0.00000 1.00000
  Co4 Co 0.16270 0.64627 0.64627 1.00000
  Co5 Co 0.46357 0.78189 0.78189 1.00000
  Ni1 Ni 0.92467 0.84088 0.84088 1.00000
  Ni2 Ni 0.19970 0.51983 0.07064 1.00000
  Ni3 Ni 0.19970 0.07064 0.51983 1.00000
  Ni4 Ni 0.57582 0.65025 0.14304 1.00000
  Ni5 Ni 0.57582 0.14304 0.65025 1.00000
  Ni6 Ni 0.27826 0.44295 0.44295 1.00000
  Ni7 Ni 0.72174 0.55705 0.55705 1.00000
  Ni8 Ni 0.42418 0.34975 0.85696 1.00000
  Ni9 Ni 0.42418 0.85696 0.34975 1.00000
  Ni10 Ni 0.80030 0.48017 0.92936 1.00000
  Ni11 Ni 0.80030 0.92936 0.48017 1.00000
  Ni12 Ni 0.07533 0.15912 0.15912 1.00000
  Pt1 Pt 0.00000 0.19768 0.80232 1.00000
  Pt2 Pt 1.00000 0.80232 0.19768 1.00000
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