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HoTm3Pt4

Alexandria ALEX

Alex-ID: agm017348034 · Space group: Pmm2 (#25)

Basic Information

Formula
HoTm3Pt4
Alex-ID
agm017348034
Elements
3
Sites
8
Space group
Pmm2 (#25)
Crystal system
orthorhombic
Volume
172.39
ų
Cell a
3.6712
Å
Cell b
4.4859
Å
Cell c
10.4674
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
HoTm3Pt4
Ho
1.00 · 12.5%
Tm
3.00 · 37.5%
Pt
4.00 · 50.0%

Energy & Stability

Energy above hull
0.0191
eV/atom
Formation energy
-1.2899
eV/atom
Corrected total energy
-52.6642
eV
Raw total energy
-52.6642
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0044
eV
DOS at Fermi level
7.0974
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB3C4_37_spg47

Decomposition

TmPt HoPt

Computed at

2025-03-05 04:12:14

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: agm017348034).

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 agm017348034
data_agm017348034
_cell_length_a     3.67122
_cell_length_b     4.48594
_cell_length_c     10.46735
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       172.38568
_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 0.00000 0.00000 0.36201 1.00000
  Tm1 Tm 0.50000 0.00000 0.86225 1.00000
  Tm2 Tm 0.50000 0.50000 0.13682 1.00000
  Tm3 Tm 0.00000 0.50000 0.63849 1.00000
  Pt1 Pt 0.00000 0.00000 0.08755 1.00000
  Pt2 Pt 0.50000 0.00000 0.59034 1.00000
  Pt3 Pt 0.50000 0.50000 0.41147 1.00000
  Pt4 Pt 0.00000 0.50000 0.91107 1.00000
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