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Ac2Ho2Pt15

Alexandria ALEX

Alex-ID: agm003301005 · Space group: R-3m (#166)

Basic Information

Formula
Ac2Ho2Pt15
Alex-ID
agm003301005
Elements
3
Sites
19
Space group
R-3m (#166)
Crystal system
trigonal
Volume
359.17
ų
Cell a
7.1648
Å
Cell b
7.1648
Å
Cell c
7.1648
Å
α angle
82.52
°
β angle
82.52
°
γ angle
82.52
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac2Ho2Pt15
Ac
2.00 · 10.5%
Ho
2.00 · 10.5%
Pt
15.00 · 78.9%

Energy & Stability

Energy above hull
0.1418
eV/atom
Formation energy
-0.7299
eV/atom
Corrected total energy
-122.5630
eV
Raw total energy
-122.5630
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
16.5414
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C15_1_spg166

Decomposition

Ac2Pt7 AcPt5 HoPt3

Computed at

2022-01-17 23:48:50.620978

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: agm003301005).

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 agm003301005
data_agm003301005
_cell_length_a     7.16479
_cell_length_b     7.16479
_cell_length_c     7.16479
_cell_angle_alpha  82.52395
_cell_angle_beta   82.52395
_cell_angle_gamma  82.52395
_cell_volume       359.16842
_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
  Ac1 Ac 0.35457 0.35457 0.35457 1.00000
  Ac2 Ac 0.64543 0.64543 0.64543 1.00000
  Ho1 Ho 0.10564 0.10564 0.10564 1.00000
  Ho2 Ho 0.89436 0.89436 0.89436 1.00000
  Pt1 Pt 0.50000 0.00000 0.00000 1.00000
  Pt2 Pt 0.00000 0.00000 0.50000 1.00000
  Pt3 Pt 0.00000 0.50000 0.00000 1.00000
  Pt4 Pt 0.00000 0.69491 0.30509 1.00000
  Pt5 Pt 0.69491 0.30509 0.00000 1.00000
  Pt6 Pt 0.30509 0.00000 0.69491 1.00000
  Pt7 Pt 0.30509 0.69491 0.00000 1.00000
  Pt8 Pt 0.69491 0.00000 0.30509 1.00000
  Pt9 Pt 0.00000 0.30509 0.69491 1.00000
  Pt10 Pt 0.15560 0.65428 0.65428 1.00000
  Pt11 Pt 0.65428 0.65428 0.15560 1.00000
  Pt12 Pt 0.65428 0.15560 0.65428 1.00000
  Pt13 Pt 0.84440 0.34572 0.34572 1.00000
  Pt14 Pt 0.34572 0.34572 0.84440 1.00000
  Pt15 Pt 0.34572 0.84440 0.34572 1.00000
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