Navigation

HEAS Data Platform · Materials Science Database

DyHo12C7

Alexandria ALEX

Alex-ID: agm005807338 · Space group: R-3 (#148)

Basic Information

Formula
DyHo12C7
Alex-ID
agm005807338
Elements
3
Sites
20
Space group
R-3 (#148)
Crystal system
trigonal
Volume
430.44
ų
Cell a
8.0793
Å
Cell b
8.0793
Å
Cell c
8.0793
Å
α angle
107.71
°
β angle
107.71
°
γ angle
107.71
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
DyHo12C7
Dy
1.00 · 5.0%
Ho
12.00 · 60.0%
C
7.00 · 35.0%

Energy & Stability

Energy above hull
0.0457
eV/atom
Formation energy
-0.2568
eV/atom
Corrected total energy
-129.2501
eV
Raw total energy
-129.2501
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0001
eV
DOS at Fermi level
16.1767
Total magnetisation
0.0028
μB

Additional Information

Prototype ID

AB7C12_30_spg148

Decomposition

DyHo3C2 Ho2C Ho4C5

Computed at

2023-07-15 14:16:50.855146

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: agm005807338).

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 agm005807338
data_agm005807338
_cell_length_a     8.07929
_cell_length_b     8.07928
_cell_length_c     8.07928
_cell_angle_alpha  107.70777
_cell_angle_beta   107.70776
_cell_angle_gamma  107.70776
_cell_volume       430.44106
_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
  Dy1 Dy 0.00000 0.00000 0.00000 1.00000
  Ho1 Ho 0.93013 0.30858 0.78632 1.00000
  Ho2 Ho 0.69142 0.21368 0.06987 1.00000
  Ho3 Ho 0.44293 0.15958 0.37443 1.00000
  Ho4 Ho 0.84042 0.62557 0.55707 1.00000
  Ho5 Ho 0.21368 0.06987 0.69142 1.00000
  Ho6 Ho 0.62557 0.55707 0.84042 1.00000
  Ho7 Ho 0.37443 0.44293 0.15958 1.00000
  Ho8 Ho 0.78632 0.93013 0.30858 1.00000
  Ho9 Ho 0.15958 0.37443 0.44293 1.00000
  Ho10 Ho 0.55707 0.84042 0.62557 1.00000
  Ho11 Ho 0.30858 0.78632 0.93013 1.00000
  Ho12 Ho 0.06987 0.69142 0.21368 1.00000
  C1 C 0.95806 0.64472 0.88380 1.00000
  C2 C 0.35528 0.11620 0.04194 1.00000
  C3 C 0.11620 0.04194 0.35528 1.00000
  C4 C 0.50000 0.50000 0.50000 1.00000
  C5 C 0.88380 0.95806 0.64472 1.00000
  C6 C 0.64472 0.88380 0.95806 1.00000
  C7 C 0.04194 0.35528 0.11620 1.00000
Get direct link