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Ho3Te2Pt

Alexandria ALEX

Alex-ID: agm005755671 · Space group: Fddd (#70)

Basic Information

Formula
Ho3Te2Pt
Alex-ID
agm005755671
Elements
3
Sites
24
Space group
Fddd (#70)
Crystal system
orthorhombic
Volume
670.69
ų
Cell a
7.4826
Å
Cell b
7.4826
Å
Cell c
13.3701
Å
α angle
101.00
°
β angle
101.00
°
γ angle
108.56
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho3Te2Pt
Ho
12.00 · 50.0%
Te
8.00 · 33.3%
Pt
4.00 · 16.7%

Energy & Stability

Energy above hull
0.0308
eV/atom
Formation energy
-1.2820
eV/atom
Corrected total energy
-135.1965
eV
Raw total energy
-135.1965
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0554
eV
DOS at Fermi level
16.0909
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3_2914_spg15

Decomposition

Ho6Te5Pt HoPt

Computed at

2023-08-25 05:59:53.548888

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: agm005755671).

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 agm005755671
data_agm005755671
_cell_length_a     7.48261
_cell_length_b     7.48261
_cell_length_c     13.37007
_cell_angle_alpha  100.99602
_cell_angle_beta   100.99603
_cell_angle_gamma  108.56386
_cell_volume       670.68923
_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 0.16079 0.69274 0.81967 1.00000
  Ho2 Ho 0.65888 0.12693 0.81967 1.00000
  Ho3 Ho 0.08921 0.05726 0.68033 1.00000
  Ho4 Ho 0.59112 0.62307 0.68033 1.00000
  Ho5 Ho 0.03405 0.53405 0.50000 1.00000
  Ho6 Ho 0.46595 0.96595 0.50000 1.00000
  Ho7 Ho 0.37693 0.40888 0.31967 1.00000
  Ho8 Ho 0.94274 0.91079 0.31967 1.00000
  Ho9 Ho 0.87307 0.34112 0.18033 1.00000
  Ho10 Ho 0.30726 0.83921 0.18033 1.00000
  Ho11 Ho 0.21595 0.21595 0.00000 1.00000
  Ho12 Ho 0.78405 0.78405 1.00000 1.00000
  Te1 Te 0.99484 0.49484 0.98969 1.00000
  Te2 Te 0.42111 0.42111 0.84223 1.00000
  Te3 Te 0.82889 0.32889 0.65777 1.00000
  Te4 Te 0.25516 0.25516 0.51031 1.00000
  Te5 Te 0.74484 0.74484 0.48969 1.00000
  Te6 Te 0.67111 0.17111 0.34223 1.00000
  Te7 Te 0.57889 0.57889 0.15777 1.00000
  Te8 Te 0.50516 0.00516 0.01031 1.00000
  Pt1 Pt 0.91652 0.91652 0.83304 1.00000
  Pt2 Pt 0.33348 0.83348 0.66696 1.00000
  Pt3 Pt 0.16652 0.66652 0.33304 1.00000
  Pt4 Pt 0.08348 0.08348 0.16696 1.00000
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