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Ce2Dy5Ho6

Alexandria ALEX

Alex-ID: agm005671241 · Space group: Pbam (#55)

Alexandria Database API

Basic Information

Formula
Ce2Dy5Ho6
Alex-ID
agm005671241
Elements
3
Sites
26
Space group
Pbam (#55)
Crystal system
orthorhombic
Volume
823.89
ų
Cell a
3.5245
Å
Cell b
11.3478
Å
Cell c
20.5997
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce2Dy5Ho6
Ce
4.00 · 15.4%
Dy
10.00 · 38.5%
Ho
12.00 · 46.2%

Energy & Stability

Energy above hull
0.1338
eV/atom
Formation energy
0.1310
eV/atom
Corrected total energy
-121.3102
eV
Raw total energy
-121.3102
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0026
eV
DOS at Fermi level
44.9167
Total magnetisation
2.5709
μB

Additional Information

Prototype ID

A2B5C6_66_spg55

Decomposition

Dy5Ho Dy2Ho7 Ce

Computed at

2023-06-20 01:45:06.596724

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: agm005671241).

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 agm005671241
data_agm005671241
_cell_length_a     3.52447
_cell_length_b     11.34783
_cell_length_c     20.59969
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       823.88650
_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 0.31041 0.26506 1.00000
  Ce2 Ce 0.00000 0.68959 0.73494 1.00000
  Ce3 Ce 0.00000 0.81041 0.23494 1.00000
  Ce4 Ce 0.00000 0.18959 0.76506 1.00000
  Dy1 Dy 0.50000 0.31405 0.42053 1.00000
  Dy2 Dy 0.50000 0.68595 0.57947 1.00000
  Dy3 Dy 0.50000 0.81405 0.07947 1.00000
  Dy4 Dy 0.50000 0.18595 0.92053 1.00000
  Dy5 Dy 0.50000 0.56495 0.29380 1.00000
  Dy6 Dy 0.50000 0.43505 0.70620 1.00000
  Dy7 Dy 0.50000 0.06495 0.20620 1.00000
  Dy8 Dy 0.50000 0.93505 0.79380 1.00000
  Dy9 Dy 0.50000 0.50000 0.00000 1.00000
  Dy10 Dy 0.50000 0.00000 0.50000 1.00000
  Ho1 Ho 0.00000 0.06716 0.35322 1.00000
  Ho2 Ho 0.00000 0.93284 0.64678 1.00000
  Ho3 Ho 0.00000 0.56716 0.14678 1.00000
  Ho4 Ho 0.00000 0.43284 0.85322 1.00000
  Ho5 Ho 0.50000 0.31650 0.12428 1.00000
  Ho6 Ho 0.50000 0.68350 0.87572 1.00000
  Ho7 Ho 0.50000 0.81650 0.37572 1.00000
  Ho8 Ho 0.50000 0.18350 0.62428 1.00000
  Ho9 Ho 0.00000 0.58448 0.43826 1.00000
  Ho10 Ho 0.00000 0.41552 0.56174 1.00000
  Ho11 Ho 0.00000 0.08448 0.06174 1.00000
  Ho12 Ho 0.00000 0.91552 0.93826 1.00000
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