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Ac8Dy4Er

Alexandria ALEX

Alex-ID: agm098008828 · Space group: Cm (#8)

Basic Information

Formula
Ac8Dy4Er
Alex-ID
agm098008828
Elements
3
Sites
13
Space group
Cm (#8)
Crystal system
monoclinic
Volume
515.50
ų
Cell a
3.8193
Å
Cell b
12.3386
Å
Cell c
12.5973
Å
α angle
61.82
°
β angle
81.29
°
γ angle
90.01
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac8Dy4Er
Ac
8.00 · 61.5%
Dy
4.00 · 30.8%
Er
1.00 · 7.7%

Energy & Stability

Energy above hull
0.0767
eV/atom
Formation energy
0.0757
eV/atom
Corrected total energy
-54.8610
eV
Raw total energy
-54.8610
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
22.1302
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1845_spg8

Decomposition

Dy7Er2 Ac Dy

Computed at

2025-06-15 06:15:56

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: agm098008828).

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 agm098008828
data_agm098008828
_cell_length_a     3.81926
_cell_length_b     12.33860
_cell_length_c     12.59728
_cell_angle_alpha  61.82255
_cell_angle_beta   81.29243
_cell_angle_gamma  90.00795
_cell_volume       515.50407
_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
  Ac1 Ac 0.96346 0.27112 0.14981 1.00000
  Ac2 Ac 0.42673 0.55057 0.22370 1.00000
  Ac3 Ac 0.23312 0.68089 0.61014 1.00000
  Ac4 Ac 0.15656 0.17048 0.76275 1.00000
  Ac5 Ac 0.88668 0.80015 0.30455 1.00000
  Ac6 Ac 0.80913 0.23575 0.45952 1.00000
  Ac7 Ac 0.61367 0.40053 0.84893 1.00000
  Ac8 Ac 0.67978 0.89853 0.71749 1.00000
  Dy1 Dy 0.03844 0.84476 0.00010 1.00000
  Dy2 Dy 0.06997 0.60561 0.93614 1.00000
  Dy3 Dy 0.77335 0.47361 0.53029 1.00000
  Dy4 Dy 0.34203 0.01168 0.39332 1.00000
  Er1 Er 0.50711 0.05632 0.06325 1.00000
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