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Ho2Tm5Mn

Alexandria ALEX

Alex-ID: agm012198784 · Space group: Cmmm (#65)

Basic Information

Formula
Ho2Tm5Mn
Alex-ID
agm012198784
Elements
3
Sites
8
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
225.71
ų
Cell a
8.7823
Å
Cell b
8.7823
Å
Cell c
3.5634
Å
α angle
90.00
°
β angle
90.00
°
γ angle
124.79
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2Tm5Mn
Ho
2.00 · 25.0%
Tm
5.00 · 62.5%
Mn
1.00 · 12.5%

Energy & Stability

Energy above hull
0.0803
eV/atom
Formation energy
0.0708
eV/atom
Corrected total energy
-40.1178
eV
Raw total energy
-40.1178
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0046
eV
DOS at Fermi level
12.3032
Total magnetisation
3.5787
μB

Additional Information

Prototype ID

AB2C5_55_spg71

Decomposition

HoTm5 Tm3Mn29 HoTm2

Computed at

2024-07-10 20:58:12.212498

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: agm012198784).

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 agm012198784
data_agm012198784
_cell_length_a     8.78226
_cell_length_b     8.78226
_cell_length_c     3.56340
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  124.78865
_cell_volume       225.71411
_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 0.77200 0.22800 0.50000 1.00000
  Ho2 Ho 0.22800 0.77200 0.50000 1.00000
  Tm1 Tm 0.59415 0.81526 0.00000 1.00000
  Tm2 Tm 0.81526 0.59415 0.00000 1.00000
  Tm3 Tm 0.00000 0.00000 0.50000 1.00000
  Tm4 Tm 0.40585 0.18474 0.00000 1.00000
  Tm5 Tm 0.18474 0.40585 0.00000 1.00000
  Mn1 Mn 0.50000 0.50000 0.50000 1.00000
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