Navigation

HEAS Data Platform · Materials Science Database

Ho3(ErMn)2

Alexandria ALEX

Alex-ID: agm009700982 · Space group: C2/m (#12)

Basic Information

Formula
Ho3(ErMn)2
Alex-ID
agm009700982
Elements
3
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
176.66
ų
Cell a
6.1512
Å
Cell b
6.1512
Å
Cell c
7.8554
Å
α angle
79.44
°
β angle
79.44
°
γ angle
37.29
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho3(ErMn)2
Ho
3.00 · 42.9%
Er
2.00 · 28.6%
Mn
2.00 · 28.6%

Energy & Stability

Energy above hull
0.1220
eV/atom
Formation energy
0.1161
eV/atom
Corrected total energy
-40.3879
eV
Raw total energy
-40.3879
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0009
eV
DOS at Fermi level
8.8359
Total magnetisation
1.9146
μB

Additional Information

Prototype ID

A2B2C3_23_spg12

Decomposition

Er2Mn17 Ho7Er2 HoEr5

Computed at

2024-03-29 17:34:28

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: agm009700982).

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 agm009700982
data_agm009700982
_cell_length_a     6.15122
_cell_length_b     6.15122
_cell_length_c     7.85543
_cell_angle_alpha  79.43740
_cell_angle_beta   79.43740
_cell_angle_gamma  37.28713
_cell_volume       176.66284
_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 0.30417 0.30417 0.82228 1.00000
  Ho2 Ho 0.00000 0.00000 0.00000 1.00000
  Ho3 Ho 0.69583 0.69583 0.17772 1.00000
  Er1 Er 0.61945 0.61945 0.61703 1.00000
  Er2 Er 0.38055 0.38055 0.38297 1.00000
  Mn1 Mn 0.05885 0.05885 0.36994 1.00000
  Mn2 Mn 0.94115 0.94115 0.63006 1.00000
Get direct link