Navigation

HEAS Data Platform · Materials Science Database

Ho4AsN2

Alexandria ALEX

Alex-ID: agm096074476 · Space group: Pmm2 (#25)

Basic Information

Formula
Ho4AsN2
Alex-ID
agm096074476
Elements
3
Sites
7
Space group
Pmm2 (#25)
Crystal system
orthorhombic
Volume
141.13
ų
Cell a
3.6423
Å
Cell b
4.8532
Å
Cell c
7.9838
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho4AsN2
Ho
4.00 · 57.1%
As
1.00 · 14.3%
N
2.00 · 28.6%

Energy & Stability

Energy above hull
0.1440
eV/atom
Formation energy
-1.3986
eV/atom
Corrected total energy
-48.6586
eV
Raw total energy
-48.6586
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.6895
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_610_spg6

Decomposition

Ho6N5 HoAs Ho

Computed at

2025-04-11 09:54:38

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: agm096074476).

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 agm096074476
data_agm096074476
_cell_length_a     3.64230
_cell_length_b     4.85318
_cell_length_c     7.98377
_cell_angle_alpha  90.00000
_cell_angle_beta   89.99847
_cell_angle_gamma  90.00000
_cell_volume       141.12702
_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 0.85798 0.50000 0.09361 1.00000
  Ho2 Ho 0.35697 0.50000 0.64040 1.00000
  Ho3 Ho 0.85698 0.00000 0.41116 1.00000
  Ho4 Ho 0.85678 0.00000 0.81302 1.00000
  As1 As 0.35727 0.00000 0.11328 1.00000
  N1 N 0.85707 0.50000 0.81657 1.00000
  N2 N 0.35694 0.00000 0.61196 1.00000
Get direct link