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Ho2Cr2Co15

Alexandria ALEX

Alex-ID: agm005282070 · Space group: P6_3/mmc (#194)

Basic Information

Formula
Ho2Cr2Co15
Alex-ID
agm005282070
Elements
3
Sites
38
Space group
P6_3/mmc (#194)
Crystal system
hexagonal
Volume
480.12
ų
Cell a
8.0709
Å
Cell b
8.2877
Å
Cell c
8.2877
Å
α angle
119.99
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2Cr2Co15
Ho
4.00 · 10.5%
Cr
4.00 · 10.5%
Co
30.00 · 78.9%

Energy & Stability

Energy above hull
0.0264
eV/atom
Formation energy
-0.0611
eV/atom
Corrected total energy
-272.8445
eV
Raw total energy
-272.8445
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0020
eV
DOS at Fermi level
43.8927
Total magnetisation
39.9417
μB

Additional Information

Prototype ID

A2B2C15_0_spg194

Decomposition

Ho2Co17 HoCo3 Cr

Computed at

2024-10-04 08:15:30

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: agm005282070).

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 agm005282070
data_agm005282070
_cell_length_a     8.07095
_cell_length_b     8.28772
_cell_length_c     8.28772
_cell_angle_alpha  119.99368
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       480.12322
_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
  Ho1 Ho 0.75000 0.99999 0.00001 1.00000
  Ho2 Ho 0.25000 0.00001 0.99999 1.00000
  Ho3 Ho 0.25000 0.66665 0.33335 1.00000
  Ho4 Ho 0.75000 0.33335 0.66665 1.00000
  Cr1 Cr 0.62290 0.66666 0.33334 1.00000
  Cr2 Cr 0.37710 0.33334 0.66666 1.00000
  Cr3 Cr 0.12290 0.33334 0.66666 1.00000
  Cr4 Cr 0.87710 0.66666 0.33334 1.00000
  Co1 Co 0.50000 0.50000 0.00000 1.00000
  Co2 Co 0.50000 0.50000 0.50000 1.00000
  Co3 Co 0.50000 0.00000 0.50000 1.00000
  Co4 Co 0.00000 0.50000 0.00000 1.00000
  Co5 Co 0.00000 0.50000 0.50000 1.00000
  Co6 Co 0.00000 0.00000 0.50000 1.00000
  Co7 Co 0.75000 0.67203 0.04006 1.00000
  Co8 Co 0.75000 0.36803 0.32797 1.00000
  Co9 Co 0.75000 0.95996 0.63199 1.00000
  Co10 Co 0.75000 0.36801 0.04004 1.00000
  Co11 Co 0.75000 0.95994 0.32797 1.00000
  Co12 Co 0.75000 0.67203 0.63197 1.00000
  Co13 Co 0.25000 0.32797 0.95994 1.00000
  Co14 Co 0.25000 0.63197 0.67203 1.00000
  Co15 Co 0.25000 0.04004 0.36801 1.00000
  Co16 Co 0.25000 0.63199 0.95996 1.00000
  Co17 Co 0.25000 0.04006 0.67203 1.00000
  Co18 Co 0.25000 0.32797 0.36803 1.00000
  Co19 Co 0.47948 0.83303 0.66606 1.00000
  Co20 Co 0.47951 0.83302 0.16698 1.00000
  Co21 Co 0.47948 0.33394 0.16697 1.00000
  Co22 Co 0.52052 0.16697 0.33394 1.00000
  Co23 Co 0.52049 0.16698 0.83302 1.00000
  Co24 Co 0.52052 0.66606 0.83303 1.00000
  Co25 Co 0.97948 0.16697 0.33394 1.00000
  Co26 Co 0.97951 0.16698 0.83302 1.00000
  Co27 Co 0.97948 0.66606 0.83303 1.00000
  Co28 Co 0.02052 0.83303 0.66606 1.00000
  Co29 Co 0.02049 0.83302 0.16698 1.00000
  Co30 Co 0.02052 0.33394 0.16697 1.00000
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