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Eu2DyHfAs4

Alexandria ALEX

Alex-ID: agm100868045 · Space group: P2/m (#10)

Basic Information

Formula
Eu2DyHfAs4
Alex-ID
agm100868045
Elements
4
Sites
8
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
199.09
ų
Cell a
7.1113
Å
Cell b
4.0873
Å
Cell c
7.2397
Å
α angle
90.00
°
β angle
108.89
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Eu2DyHfAs4
Eu
2.00 · 25.0%
Dy
1.00 · 12.5%
Hf
1.00 · 12.5%
As
4.00 · 50.0%

Energy & Stability

Energy above hull
0.0081
eV/atom
Formation energy
-1.2573
eV/atom
Corrected total energy
-63.7624
eV
Raw total energy
-63.7624
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0003
eV
DOS at Fermi level
19.8999
Total magnetisation
13.2687
μB

Additional Information

Prototype ID

ABC2D4_222_spg10

Decomposition

EuAs EuHfAs2 DyAs

Computed at

2025-06-30 14:31:51

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: agm100868045).

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 agm100868045
data_agm100868045
_cell_length_a     7.11134
_cell_length_b     4.08733
_cell_length_c     7.23974
_cell_angle_alpha  90.00000
_cell_angle_beta   108.89496
_cell_angle_gamma  90.00000
_cell_volume       199.09358
_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
  Eu1 Eu 0.00000 0.50000 0.50000 1.00000
  Eu2 Eu 0.50000 0.00000 0.50000 1.00000
  Dy1 Dy 0.50000 0.50000 0.00000 1.00000
  Hf1 Hf 0.00000 0.00000 0.00000 1.00000
  As1 As 0.76955 0.50000 0.77537 1.00000
  As2 As 0.23045 0.50000 0.22463 1.00000
  As3 As 0.75610 0.00000 0.23091 1.00000
  As4 As 0.24390 0.00000 0.76909 1.00000
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