Navigation

HEAS Data Platform · Materials Science Database

Sm(Ho2Zn)4

Alexandria ALEX

Alex-ID: agm097464295 · Space group: Pm (#6)

Basic Information

Formula
Sm(Ho2Zn)4
Alex-ID
agm097464295
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
343.65
ų
Cell a
5.0538
Å
Cell b
9.4407
Å
Cell c
9.7868
Å
α angle
47.39
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sm(Ho2Zn)4
Sm
1.00 · 7.7%
Ho
8.00 · 61.5%
Zn
4.00 · 30.8%

Energy & Stability

Energy above hull
0.0791
eV/atom
Formation energy
-0.1341
eV/atom
Corrected total energy
-48.2075
eV
Raw total energy
-48.2075
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.6950
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1593_spg1

Decomposition

Ho2Zn Sm

Computed at

2025-06-20 00:13:52

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: agm097464295).

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 agm097464295
data_agm097464295
_cell_length_a     5.05378
_cell_length_b     9.44072
_cell_length_c     9.78678
_cell_angle_alpha  47.38805
_cell_angle_beta   89.99665
_cell_angle_gamma  89.99727
_cell_volume       343.64751
_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
  Sm1 Sm 0.30782 0.15958 0.79059 1.00000
  Ho1 Ho 0.80755 0.03059 0.27939 1.00000
  Ho2 Ho 0.80767 0.78164 0.09650 1.00000
  Ho3 Ho 0.80759 0.62177 0.71740 1.00000
  Ho4 Ho 0.80766 0.10885 0.57991 1.00000
  Ho5 Ho 0.30766 0.69071 0.41872 1.00000
  Ho6 Ho 0.30768 0.40055 0.30367 1.00000
  Ho7 Ho 0.30762 0.30649 0.01993 1.00000
  Ho8 Ho 0.30760 0.77342 0.83969 1.00000
  Zn1 Zn 0.80792 0.22155 0.88921 1.00000
  Zn2 Zn 0.80783 0.45496 0.09936 1.00000
  Zn3 Zn 0.80783 0.46532 0.51170 1.00000
  Zn4 Zn 0.30759 0.98457 0.45394 1.00000
Get direct link