Navigation

HEAS Data Platform · Materials Science Database

Na8HoSb4

Alexandria ALEX

Alex-ID: agm098074615 · Space group: C2 (#5)

Basic Information

Formula
Na8HoSb4
Alex-ID
agm098074615
Elements
3
Sites
13
Space group
C2 (#5)
Crystal system
monoclinic
Volume
388.53
ų
Cell a
4.5073
Å
Cell b
10.5158
Å
Cell c
9.7409
Å
α angle
122.69
°
β angle
90.52
°
γ angle
89.08
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Na8HoSb4
Na
8.00 · 61.5%
Ho
1.00 · 7.7%
Sb
4.00 · 30.8%

Energy & Stability

Energy above hull
0.0892
eV/atom
Formation energy
-0.4407
eV/atom
Corrected total energy
-37.3494
eV
Raw total energy
-37.3494
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0001
eV
DOS at Fermi level
4.3139
Total magnetisation
0.0088
μB

Additional Information

Prototype ID

AB4C8_1745_spg6

Decomposition

Na3Sb HoSb NaSb

Computed at

2025-06-17 00:05:18

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: agm098074615).

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 agm098074615
data_agm098074615
_cell_length_a     4.50727
_cell_length_b     10.51582
_cell_length_c     9.74085
_cell_angle_alpha  122.68513
_cell_angle_beta   90.51871
_cell_angle_gamma  89.08461
_cell_volume       388.53495
_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
  Na1 Na 0.76947 0.80515 0.22563 1.00000
  Na2 Na 0.77042 0.33508 0.28556 1.00000
  Na3 Na 0.75997 0.21409 0.60961 1.00000
  Na4 Na 0.77663 0.78013 0.60976 1.00000
  Na5 Na 0.27196 0.09599 0.28659 1.00000
  Na6 Na 0.26751 0.57562 0.28668 1.00000
  Na7 Na 0.28481 0.76978 0.85601 1.00000
  Na8 Na 0.25259 0.47008 0.85545 1.00000
  Ho1 Ho 0.26903 0.14437 0.90414 1.00000
  Sb1 Sb 0.77610 0.99681 0.00958 1.00000
  Sb2 Sb 0.76209 0.39743 0.00965 1.00000
  Sb3 Sb 0.27070 0.46230 0.53987 1.00000
  Sb4 Sb 0.26874 0.95316 0.52147 1.00000
Get direct link