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Sr8HoIn4

Alexandria ALEX

Alex-ID: agm098109982 · Space group: Pm (#6)

Basic Information

Formula
Sr8HoIn4
Alex-ID
agm098109982
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
532.04
ų
Cell a
4.5687
Å
Cell b
11.2185
Å
Cell c
11.8759
Å
α angle
60.94
°
β angle
90.01
°
γ angle
90.02
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr8HoIn4
Sr
8.00 · 61.5%
Ho
1.00 · 7.7%
In
4.00 · 30.8%

Energy & Stability

Energy above hull
0.1725
eV/atom
Formation energy
-0.1277
eV/atom
Corrected total energy
-30.8330
eV
Raw total energy
-30.8330
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
10.6126
Total magnetisation
0.0005
μB

Additional Information

Prototype ID

AB4C8_1504_spg8

Decomposition

Ho5In3 Sr28In11 SrIn

Computed at

2025-06-19 04:30:02

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: agm098109982).

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 agm098109982
data_agm098109982
_cell_length_a     4.56869
_cell_length_b     11.21847
_cell_length_c     11.87590
_cell_angle_alpha  60.93752
_cell_angle_beta   90.01080
_cell_angle_gamma  90.01906
_cell_volume       532.04432
_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
  Sr1 Sr 0.80802 0.13623 0.21510 1.00000
  Sr2 Sr 0.80786 0.69514 0.16434 1.00000
  Sr3 Sr 0.80803 0.71304 0.66462 1.00000
  Sr4 Sr 0.80794 0.14341 0.59473 1.00000
  Sr5 Sr 0.30786 0.72569 0.40935 1.00000
  Sr6 Sr 0.30783 0.38737 0.28612 1.00000
  Sr7 Sr 0.30810 0.34863 0.81831 1.00000
  Sr8 Sr 0.30780 0.82022 0.86928 1.00000
  Ho1 Ho 0.30795 0.98165 0.08185 1.00000
  In1 In 0.80772 0.07223 0.89789 1.00000
  In2 In 0.80566 0.50693 0.00053 1.00000
  In3 In 0.80748 0.47606 0.51781 1.00000
  In4 In 0.30774 0.99339 0.48007 1.00000
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