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CeNd(Dy2Ho)2

Alexandria ALEX

Alex-ID: agm004866652 · Space group: P2/m (#10)

Alexandria Database API

Basic Information

Formula
CeNd(Dy2Ho)2
Alex-ID
agm004866652
Elements
4
Sites
8
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
253.07
ų
Cell a
3.5475
Å
Cell b
6.1407
Å
Cell c
11.7947
Å
α angle
80.05
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CeNd(Dy2Ho)2
Ce
1.00 · 12.5%
Nd
1.00 · 12.5%
Dy
4.00 · 50.0%
Ho
2.00 · 25.0%

Energy & Stability

Energy above hull
0.0459
eV/atom
Formation energy
0.0422
eV/atom
Corrected total energy
-37.9407
eV
Raw total energy
-37.9407
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0008
eV
DOS at Fermi level
13.3004
Total magnetisation
0.8428
μB

Additional Information

Prototype ID

ABC2D4_449_spg10

Decomposition

Nd(DyHo3)2 Dy2Ho7 NdDy4Ho Ce

Computed at

2022-07-13 12:46:44.662124

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: agm004866652).

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 agm004866652
data_agm004866652
_cell_length_a     3.54751
_cell_length_b     6.14075
_cell_length_c     11.79468
_cell_angle_alpha  80.04671
_cell_angle_beta   89.99972
_cell_angle_gamma  89.99983
_cell_volume       253.07254
_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 0.49999 0.50000 1.00000
  Nd1 Nd 0.50000 0.50000 1.00000 1.00000
  Dy1 Dy 0.00000 0.74888 0.74781 1.00000
  Dy2 Dy 1.00000 0.25112 0.25219 1.00000
  Dy3 Dy 0.50000 0.74611 0.25314 1.00000
  Dy4 Dy 0.50000 0.25389 0.74686 1.00000
  Ho1 Ho 0.00000 0.00000 1.00000 1.00000
  Ho2 Ho 0.50000 0.00000 0.50000 1.00000
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