Ho5(Tl2Pt)2

Alexandria ALEX

Alex-ID: agm005671530 · Space group: Pbam (#55)

Alexandria Database API

Basic Information

Formula

Ho5(Tl2Pt)2

Alex-ID

agm005671530

Elements

Sites

Space group

Pbam (#55)

Crystal system

orthorhombic

Volume

547.38

Å³

Cell a

3.6523

Cell b

8.1711

Cell c

18.3420

α angle

90.00

β angle

90.00

γ angle

90.00

Composition

Element Composition (atomic fraction)

Composition Info

Formula

Ho5(Tl2Pt)2

10.00 · 45.5%

8.00 · 36.4%

4.00 · 18.2%

Energy & Stability

Energy above hull

0.0000

eV/atom

Formation energy

-0.6971

eV/atom

Corrected total energy

-104.4044

Raw total energy

-104.4044

Electronic Structure

Indirect band gap

0.0000

Direct band gap

0.0000

DOS at Fermi level

11.9075

Total magnetisation

0.0000

μB

Additional Information

Prototype ID

A2B4C5_764_spg55

Decomposition

Ho5(Tl2Pt)2

Computed at

2023-06-21 16:34:23.183735

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: agm005671530).

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

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Raw CIF Data

# CIF generated by HEAS from Alexandria entry agm005671530
data_agm005671530
_cell_length_a     3.65228
_cell_length_b     8.17107
_cell_length_c     18.34199
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       547.38008
_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 0.50000 0.00000 1.00000
  Ho2 Ho 0.00000 0.00000 0.50000 1.00000
  Ho3 Ho 0.00000 0.25467 0.21927 1.00000
  Ho4 Ho 0.00000 0.74533 0.78073 1.00000
  Ho5 Ho 0.00000 0.75467 0.28073 1.00000
  Ho6 Ho 0.00000 0.24533 0.71927 1.00000
  Ho7 Ho 0.00000 0.38806 0.41246 1.00000
  Ho8 Ho 0.00000 0.61194 0.58754 1.00000
  Ho9 Ho 0.00000 0.88806 0.08754 1.00000
  Ho10 Ho 0.00000 0.11194 0.91246 1.00000
  Tl1 Tl 0.50000 0.29117 0.56377 1.00000
  Tl2 Tl 0.50000 0.70883 0.43623 1.00000
  Tl3 Tl 0.50000 0.79117 0.93623 1.00000
  Tl4 Tl 0.50000 0.20883 0.06377 1.00000
  Tl5 Tl 0.50000 0.42103 0.85425 1.00000
  Tl6 Tl 0.50000 0.57897 0.14575 1.00000
  Tl7 Tl 0.50000 0.92103 0.64575 1.00000
  Tl8 Tl 0.50000 0.07897 0.35425 1.00000
  Pt1 Pt 0.50000 0.47126 0.30209 1.00000
  Pt2 Pt 0.50000 0.52874 0.69791 1.00000
  Pt3 Pt 0.50000 0.97126 0.19791 1.00000
  Pt4 Pt 0.50000 0.02874 0.80209 1.00000

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