Navigation

HEAS Data Platform · Materials Science Database

Ho(Sc2Mn)4

Alexandria ALEX

Alex-ID: agm097404358 · Space group: Pm (#6)

Basic Information

Formula
Ho(Sc2Mn)4
Alex-ID
agm097404358
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
269.70
ų
Cell a
3.3305
Å
Cell b
9.3131
Å
Cell c
9.9923
Å
α angle
60.48
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho(Sc2Mn)4
Ho
1.00 · 7.7%
Sc
8.00 · 61.5%
Mn
4.00 · 30.8%

Energy & Stability

Energy above hull
0.1471
eV/atom
Formation energy
0.0829
eV/atom
Corrected total energy
-90.8315
eV
Raw total energy
-90.8315
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0037
eV
DOS at Fermi level
16.4705
Total magnetisation
5.1189
μB

Additional Information

Prototype ID

AB4C8_1607_spg8

Decomposition

ScMn2 Ho Sc

Computed at

2025-06-18 11:30:12

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: agm097404358).

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 agm097404358
data_agm097404358
_cell_length_a     3.33047
_cell_length_b     9.31308
_cell_length_c     9.99234
_cell_angle_alpha  60.47964
_cell_angle_beta   89.99555
_cell_angle_gamma  89.99832
_cell_volume       269.69638
_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 0.26898 0.09605 0.00262 1.00000
  Sc1 Sc 0.76921 0.18616 0.25583 1.00000
  Sc2 Sc 0.76904 0.73534 0.14228 1.00000
  Sc3 Sc 0.76931 0.75758 0.70079 1.00000
  Sc4 Sc 0.76930 0.14401 0.68491 1.00000
  Sc5 Sc 0.26907 0.82503 0.38828 1.00000
  Sc6 Sc 0.26918 0.40490 0.38472 1.00000
  Sc7 Sc 0.26915 0.45795 0.67611 1.00000
  Sc8 Sc 0.26891 0.52785 0.01089 1.00000
  Mn1 Mn 0.26953 0.87196 0.86373 1.00000
  Mn2 Mn 0.76926 0.37000 0.92196 1.00000
  Mn3 Mn 0.76935 0.58474 0.44319 1.00000
  Mn4 Mn 0.26971 0.03842 0.52469 1.00000
Get direct link