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Ho2ErHfAs4

Alexandria ALEX

Alex-ID: agm113481296 · Space group: Cmmm (#65)

Alexandria Database API

Basic Information

Formula
Ho2ErHfAs4
Alex-ID
agm113481296
Elements
4
Sites
8
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
183.26
ų
Cell a
6.9560
Å
Cell b
6.9560
Å
Cell c
4.0121
Å
α angle
90.00
°
β angle
90.00
°
γ angle
109.26
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2ErHfAs4
Ho
2.00 · 25.0%
Er
1.00 · 12.5%
Hf
1.00 · 12.5%
As
4.00 · 50.0%

Energy & Stability

Energy above hull
0.0076
eV/atom
Formation energy
-1.3906
eV/atom
Corrected total energy
-53.3966
eV
Raw total energy
-53.3966
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
1.3398
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2D4_222_spg10

Decomposition

HoErAs2 Ho3ErAs4 HfAs

Computed at

2025-06-30 14:26:16

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: agm113481296).

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 agm113481296
data_agm113481296
_cell_length_a     6.95604
_cell_length_b     6.95604
_cell_length_c     4.01211
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  109.26290
_cell_volume       183.26356
_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
  Ho1 Ho 0.00000 0.50000 0.50000 1.00000
  Ho2 Ho 0.50000 0.00000 0.50000 1.00000
  Er1 Er 0.00000 0.00000 0.00000 1.00000
  Hf1 Hf 0.50000 0.50000 0.00000 1.00000
  As1 As 0.26081 0.26081 0.50000 1.00000
  As2 As 0.73919 0.73919 0.50000 1.00000
  As3 As 0.74421 0.25579 0.00000 1.00000
  As4 As 0.25579 0.74421 0.00000 1.00000
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