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CoNi5Pt

Alexandria ALEX

Alex-ID: agm005759250 · Space group: Cmmm (#65)

Alexandria Database API

Basic Information

Formula
CoNi5Pt
Alex-ID
agm005759250
Elements
3
Sites
7
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
89.31
ų
Cell a
4.3275
Å
Cell b
4.3275
Å
Cell c
5.0743
Å
α angle
90.00
°
β angle
90.00
°
γ angle
109.98
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CoNi5Pt
Co
1.00 · 14.3%
Ni
5.00 · 71.4%
Pt
1.00 · 14.3%

Energy & Stability

Energy above hull
0.1914
eV/atom
Formation energy
0.1520
eV/atom
Corrected total energy
-41.0670
eV
Raw total energy
-41.0670
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0065
eV
DOS at Fermi level
9.4784
Total magnetisation
5.5679
μB

Additional Information

Prototype ID

ABC5_730_spg65

Decomposition

CoNi3 Ni3Pt Co3Pt

Computed at

2023-07-14 00:33:09.427354

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: agm005759250).

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 agm005759250
data_agm005759250
_cell_length_a     4.32753
_cell_length_b     4.32753
_cell_length_c     5.07427
_cell_angle_alpha  90.00172
_cell_angle_beta   90.00175
_cell_angle_gamma  109.98222
_cell_volume       89.30776
_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 0.50000 0.50000 0.50000 1.00000
  Ni1 Ni 0.50000 0.99998 0.25468 1.00000
  Ni2 Ni 0.99998 0.50000 0.25468 1.00000
  Ni3 Ni 0.00000 0.00000 0.50000 1.00000
  Ni4 Ni 0.00002 0.50000 0.74532 1.00000
  Ni5 Ni 0.50001 0.00002 0.74532 1.00000
  Pt1 Pt 0.00000 0.00000 0.00000 1.00000
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