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Co8Ni2Pt3

Alexandria ALEX

Alex-ID: agm005646973 · Space group: P-1 (#2)

Basic Information

Formula
Co8Ni2Pt3
Alex-ID
agm005646973
Elements
3
Sites
13
Space group
P-1 (#2)
Crystal system
triclinic
Volume
165.29
ų
Cell a
4.7119
Å
Cell b
4.4397
Å
Cell c
9.4977
Å
α angle
107.03
°
β angle
83.09
°
γ angle
65.05
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Co8Ni2Pt3
Co
8.00 · 61.5%
Ni
2.00 · 15.4%
Pt
3.00 · 23.1%

Energy & Stability

Energy above hull
0.1875
eV/atom
Formation energy
0.1158
eV/atom
Corrected total energy
-85.3163
eV
Raw total energy
-85.3163
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0084
eV
DOS at Fermi level
12.1884
Total magnetisation
16.7863
μB

Additional Information

Prototype ID

A2B3C8_355_spg2

Decomposition

CoNi3 Ni3Pt Co3Pt

Computed at

2023-06-15 17:51:52.498115

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: agm005646973).

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 agm005646973
data_agm005646973
_cell_length_a     4.71192
_cell_length_b     4.43970
_cell_length_c     9.49771
_cell_angle_alpha  107.02950
_cell_angle_beta   83.08754
_cell_angle_gamma  65.04770
_cell_volume       165.28585
_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 0.33930 0.38703 0.04319 1.00000
  Co2 Co 0.66070 0.61297 0.95681 1.00000
  Co3 Co 0.25492 0.87288 0.66793 1.00000
  Co4 Co 0.75975 0.27067 0.60008 1.00000
  Co5 Co 0.25701 0.29937 0.52589 1.00000
  Co6 Co 0.24025 0.72933 0.39992 1.00000
  Co7 Co 0.74508 0.12712 0.33207 1.00000
  Co8 Co 0.74299 0.70063 0.47411 1.00000
  Ni1 Ni 0.27295 0.42268 0.78951 1.00000
  Ni2 Ni 0.72705 0.57732 0.21049 1.00000
  Pt1 Pt 0.00000 0.00000 0.00000 1.00000
  Pt2 Pt 0.25760 0.13268 0.23818 1.00000
  Pt3 Pt 0.74240 0.86732 0.76182 1.00000
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