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Dy(Er2Ni)4

Alexandria ALEX

Alex-ID: agm098069609 · Space group: P1 (#1)

Basic Information

Formula
Dy(Er2Ni)4
Alex-ID
agm098069609
Elements
3
Sites
13
Space group
P1 (#1)
Crystal system
triclinic
Volume
318.35
ų
Cell a
3.5077
Å
Cell b
9.5048
Å
Cell c
10.0491
Å
α angle
72.31
°
β angle
86.51
°
γ angle
86.78
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy(Er2Ni)4
Dy
1.00 · 7.7%
Er
8.00 · 61.5%
Ni
4.00 · 30.8%

Energy & Stability

Energy above hull
0.1019
eV/atom
Formation energy
-0.2141
eV/atom
Corrected total energy
-67.0250
eV
Raw total energy
-67.0250
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.7328
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_892_spg1

Decomposition

DyEr2Ni Er3Ni ErNi

Computed at

2025-06-17 09:14:38

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: agm098069609).

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 agm098069609
data_agm098069609
_cell_length_a     3.50770
_cell_length_b     9.50483
_cell_length_c     10.04908
_cell_angle_alpha  72.31092
_cell_angle_beta   86.50799
_cell_angle_gamma  86.77660
_cell_volume       318.35334
_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 0.10823 0.00013 0.98103 1.00000
  Er1 Er 0.42381 0.09770 0.26398 1.00000
  Er2 Er 0.31696 0.64078 0.03919 1.00000
  Er3 Er 0.86914 0.62089 0.73425 1.00000
  Er4 Er 0.86309 0.28350 0.66412 1.00000
  Er5 Er 0.87869 0.73880 0.37390 1.00000
  Er6 Er 0.37679 0.40517 0.35589 1.00000
  Er7 Er 0.41806 0.33366 0.95306 1.00000
  Er8 Er 0.33289 0.95955 0.62348 1.00000
  Ni1 Ni 0.76360 0.84567 0.85462 1.00000
  Ni2 Ni 0.89202 0.36915 0.15159 1.00000
  Ni3 Ni 0.38758 0.53941 0.56071 1.00000
  Ni4 Ni 0.86912 0.16560 0.44418 1.00000
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