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Cu10Ni

Alexandria ALEX

Alex-ID: agm047229774 · Space group: C2/m (#12)

Basic Information

Formula
Cu10Ni
Alex-ID
agm047229774
Elements
2
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
129.65
ų
Cell a
6.7429
Å
Cell b
6.7429
Å
Cell c
5.7118
Å
α angle
75.75
°
β angle
104.25
°
γ angle
148.91
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Cu10Ni
Cu
10.00 · 90.9%
Ni
1.00 · 9.1%

Energy & Stability

Energy above hull
0.0602
eV/atom
Formation energy
0.0602
eV/atom
Corrected total energy
-46.7215
eV
Raw total energy
-46.7215
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0310
eV
DOS at Fermi level
5.1336
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB10_28_spg71

Decomposition

Ni Cu

Computed at

2025-02-02 11:28:04

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: agm047229774).

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 agm047229774
data_agm047229774
_cell_length_a     6.74287
_cell_length_b     6.74287
_cell_length_c     5.71180
_cell_angle_alpha  75.75252
_cell_angle_beta   104.24748
_cell_angle_gamma  148.90986
_cell_volume       129.65321
_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
  Cu1 Cu 0.77296 0.22704 0.36359 1.00000
  Cu2 Cu 0.22704 0.77296 0.63641 1.00000
  Cu3 Cu 0.40963 0.59037 0.54770 1.00000
  Cu4 Cu 0.68100 0.31900 0.90899 1.00000
  Cu5 Cu 0.86461 0.13539 0.81987 1.00000
  Cu6 Cu 0.95491 0.04509 0.27088 1.00000
  Cu7 Cu 0.13539 0.86461 0.18013 1.00000
  Cu8 Cu 0.31900 0.68100 0.09101 1.00000
  Cu9 Cu 0.59037 0.40963 0.45230 1.00000
  Cu10 Cu 0.04509 0.95491 0.72912 1.00000
  Ni1 Ni 0.50000 0.50000 0.00000 1.00000
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