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Ho2TmAu3

Alexandria ALEX

Alex-ID: agm033256930 · Space group: Immm (#71)

Basic Information

Formula
Ho2TmAu3
Alex-ID
agm033256930
Elements
3
Sites
12
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
274.17
ų
Cell a
8.7676
Å
Cell b
8.7676
Å
Cell c
8.7676
Å
α angle
146.51
°
β angle
131.94
°
γ angle
59.85
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2TmAu3
Ho
4.00 · 33.3%
Tm
2.00 · 16.7%
Au
6.00 · 50.0%

Energy & Stability

Energy above hull
0.0181
eV/atom
Formation energy
-0.8770
eV/atom
Corrected total energy
-57.4451
eV
Raw total energy
-57.4451
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0060
eV
DOS at Fermi level
6.2171
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3_1321_spg12

Decomposition

TmAu HoAu

Computed at

2025-04-15 05:48:36

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: agm033256930).

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 agm033256930
data_agm033256930
_cell_length_a     8.76755
_cell_length_b     8.76755
_cell_length_c     8.76755
_cell_angle_alpha  146.50673
_cell_angle_beta   131.93506
_cell_angle_gamma  59.85179
_cell_volume       274.16926
_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 0.50000 0.00000 0.50000 1.00000
  Ho2 Ho 0.00000 0.00000 0.00000 1.00000
  Ho3 Ho 0.83370 0.33370 0.50000 1.00000
  Ho4 Ho 0.16630 0.66630 0.50000 1.00000
  Tm1 Tm 0.66694 0.66694 0.00000 1.00000
  Tm2 Tm 0.33306 0.33306 0.00000 1.00000
  Au1 Au 0.25307 0.50000 0.75307 1.00000
  Au2 Au 0.74693 0.50000 0.24693 1.00000
  Au3 Au 0.58037 0.83231 0.74806 1.00000
  Au4 Au 0.91575 0.16769 0.74806 1.00000
  Au5 Au 0.08425 0.83231 0.25194 1.00000
  Au6 Au 0.41963 0.16769 0.25194 1.00000
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