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CeDy12Ho7

Alexandria ALEX

Alex-ID: agm003704635 · Space group: R-3 (#148)

Alexandria Database API

Basic Information

Formula
CeDy12Ho7
Alex-ID
agm003704635
Elements
3
Sites
20
Space group
R-3 (#148)
Crystal system
trigonal
Volume
637.94
ų
Cell a
9.2374
Å
Cell b
9.2374
Å
Cell c
9.2374
Å
α angle
107.99
°
β angle
107.99
°
γ angle
107.99
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CeDy12Ho7
Ce
1.00 · 5.0%
Dy
12.00 · 60.0%
Ho
7.00 · 35.0%

Energy & Stability

Energy above hull
0.1826
eV/atom
Formation energy
0.1795
eV/atom
Corrected total energy
-89.6375
eV
Raw total energy
-89.6375
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
40.0683
Total magnetisation
0.0472
μB

Additional Information

Prototype ID

AB7C12_21_spg148

Decomposition

Dy5Ho Dy2Ho7 Ce

Computed at

2022-04-13 17:17:35.424504

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: agm003704635).

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 agm003704635
data_agm003704635
_cell_length_a     9.23739
_cell_length_b     9.23739
_cell_length_c     9.23739
_cell_angle_alpha  107.98696
_cell_angle_beta   107.98696
_cell_angle_gamma  107.98696
_cell_volume       637.93981
_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
  Ce1 Ce 0.00000 0.00000 0.00000 1.00000
  Dy1 Dy 0.78921 0.32532 0.61125 1.00000
  Dy2 Dy 0.67468 0.38875 0.21079 1.00000
  Dy3 Dy 0.40557 0.06153 0.30041 1.00000
  Dy4 Dy 0.93847 0.69959 0.59443 1.00000
  Dy5 Dy 0.38875 0.21079 0.67468 1.00000
  Dy6 Dy 0.69959 0.59443 0.93847 1.00000
  Dy7 Dy 0.30041 0.40557 0.06153 1.00000
  Dy8 Dy 0.61125 0.78921 0.32532 1.00000
  Dy9 Dy 0.06153 0.30041 0.40557 1.00000
  Dy10 Dy 0.59443 0.93847 0.69959 1.00000
  Dy11 Dy 0.32532 0.61125 0.78921 1.00000
  Dy12 Dy 0.21079 0.67468 0.38875 1.00000
  Ho1 Ho 0.10492 0.68472 0.99967 1.00000
  Ho2 Ho 0.31528 0.00033 0.89508 1.00000
  Ho3 Ho 0.00033 0.89508 0.31528 1.00000
  Ho4 Ho 0.50000 0.50000 0.50000 1.00000
  Ho5 Ho 0.99967 0.10492 0.68472 1.00000
  Ho6 Ho 0.68472 0.99967 0.10492 1.00000
  Ho7 Ho 0.89508 0.31528 0.00033 1.00000
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