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CoRe

Alexandria ALEX

Alex-ID: agm003201974 · Space group: Cm (#8)

Basic Information

Formula
CoRe
Alex-ID
agm003201974
Elements
2
Sites
6
Space group
Cm (#8)
Crystal system
monoclinic
Volume
76.45
ų
Cell a
4.9434
Å
Cell b
4.9434
Å
Cell c
9.9970
Å
α angle
139.88
°
β angle
139.88
°
γ angle
30.94
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CoRe
Co
3.00 · 50.0%
Re
3.00 · 50.0%

Energy & Stability

Energy above hull
0.0944
eV/atom
Formation energy
0.0344
eV/atom
Corrected total energy
-58.5093
eV
Raw total energy
-58.5093
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0087
eV
DOS at Fermi level
5.7794
Total magnetisation
0.0015
μB

Additional Information

Prototype ID

AB_37_spg8

Decomposition

CoRe

Computed at

2021-12-03 00:07:38.679413

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: agm003201974).

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 agm003201974
data_agm003201974
_cell_length_a     4.94339
_cell_length_b     4.94339
_cell_length_c     9.99697
_cell_angle_alpha  139.87624
_cell_angle_beta   139.87624
_cell_angle_gamma  30.93854
_cell_volume       76.45184
_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 0.99931 0.99931 0.99670 1.00000
  Co2 Co 0.11378 0.11378 0.72327 1.00000
  Co3 Co 0.66726 0.66726 0.33662 1.00000
  Re1 Re 0.34076 0.34076 0.67168 1.00000
  Re2 Re 0.42911 0.42911 0.38618 1.00000
  Re3 Re 0.78311 0.78311 0.05223 1.00000
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