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HEAS Data Platform · Materials Science Database

Co4Ni8Pt

Alexandria ALEX

Alex-ID: agm006044545 · Space group: C2/m (#12)

Basic Information

Formula
Co4Ni8Pt
Alex-ID
agm006044545
Elements
3
Sites
13
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
147.17
ų
Cell a
3.5580
Å
Cell b
4.3631
Å
Cell c
11.5599
Å
α angle
63.97
°
β angle
81.15
°
γ angle
65.94
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Co4Ni8Pt
Co
4.00 · 30.8%
Ni
8.00 · 61.5%
Pt
1.00 · 7.7%

Energy & Stability

Energy above hull
0.0254
eV/atom
Formation energy
-0.0022
eV/atom
Corrected total energy
-80.8827
eV
Raw total energy
-80.8827
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0020
eV
DOS at Fermi level
17.9168
Total magnetisation
12.4598
μB

Additional Information

Prototype ID

AB4C8_170_spg12

Decomposition

CoNi3 Ni3Pt Co3Pt

Computed at

2023-09-03 06:10:16.926979

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: agm006044545).

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 agm006044545
data_agm006044545
_cell_length_a     3.55804
_cell_length_b     4.36310
_cell_length_c     11.55993
_cell_angle_alpha  63.97121
_cell_angle_beta   81.14726
_cell_angle_gamma  65.93692
_cell_volume       147.17377
_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 0.36221 0.84501 0.43056 1.00000
  Co2 Co 0.89627 0.40321 0.80424 1.00000
  Co3 Co 0.13514 0.60020 0.12951 1.00000
  Co4 Co 0.66927 0.15833 0.50314 1.00000
  Ni1 Ni 0.05643 0.53353 0.35361 1.00000
  Ni2 Ni 0.43865 0.91818 0.20452 1.00000
  Ni3 Ni 0.59272 0.08536 0.72921 1.00000
  Ni4 Ni 0.97504 0.46981 0.58010 1.00000
  Ni5 Ni 0.74772 0.22441 0.28016 1.00000
  Ni6 Ni 0.20880 0.70025 0.88215 1.00000
  Ni7 Ni 0.28369 0.77902 0.65359 1.00000
  Ni8 Ni 0.82264 0.30305 0.05168 1.00000
  Pt1 Pt 0.51571 0.00170 0.96688 1.00000
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