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Co8H

Alexandria ALEX

Alex-ID: agm007333314 · Space group: P-1 (#2)

Basic Information

Formula
Co8H
Alex-ID
agm007333314
Elements
2
Sites
9
Space group
P-1 (#2)
Crystal system
triclinic
Volume
88.70
ų
Cell a
4.3558
Å
Cell b
4.7675
Å
Cell c
5.0311
Å
α angle
105.37
°
β angle
89.99
°
γ angle
117.21
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Co8H
Co
8.00 · 88.9%
H
1.00 · 11.1%

Energy & Stability

Energy above hull
0.0112
eV/atom
Formation energy
0.0002
eV/atom
Corrected total energy
-60.2285
eV
Raw total energy
-60.2285
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0135
eV
DOS at Fermi level
6.5257
Total magnetisation
12.4355
μB

Additional Information

Prototype ID

AB8_5_spg139

Decomposition

Co2H Co

Computed at

2024-11-05 10:55:50.927009

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: agm007333314).

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 agm007333314
data_agm007333314
_cell_length_a     4.35585
_cell_length_b     4.76747
_cell_length_c     5.03112
_cell_angle_alpha  105.36506
_cell_angle_beta   89.98883
_cell_angle_gamma  117.21125
_cell_volume       88.69813
_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 0.20343 0.74656 0.19184 1.00000
  Co2 Co 0.20303 0.74569 0.68134 1.00000
  Co3 Co 0.79697 0.25431 0.31866 1.00000
  Co4 Co 0.79657 0.25344 0.80816 1.00000
  Co5 Co 0.70810 0.74882 0.43765 1.00000
  Co6 Co 0.29190 0.25118 0.56235 1.00000
  Co7 Co 0.28949 0.25572 0.06467 1.00000
  Co8 Co 0.71051 0.74428 0.93533 1.00000
  H1 H 0.50000 0.00000 0.00000 1.00000
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