Navigation

HEAS Data Platform · Materials Science Database

HoSnPt2

Alexandria ALEX

Alex-ID: agm005804514 · Space group: P2_1/m (#11)

Basic Information

Formula
HoSnPt2
Alex-ID
agm005804514
Elements
3
Sites
8
Space group
P2_1/m (#11)
Crystal system
monoclinic
Volume
163.68
ų
Cell a
4.3201
Å
Cell b
5.8122
Å
Cell c
7.0663
Å
α angle
112.70
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
HoSnPt2
Ho
2.00 · 25.0%
Sn
2.00 · 25.0%
Pt
4.00 · 50.0%

Energy & Stability

Energy above hull
0.0190
eV/atom
Formation energy
-0.9792
eV/atom
Corrected total energy
-49.3480
eV
Raw total energy
-49.3480
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.5835
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2_961_spg11

Decomposition

HoSnPt2

Computed at

2023-07-13 13:54:38.307810

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: agm005804514).

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 agm005804514
data_agm005804514
_cell_length_a     4.32006
_cell_length_b     5.81217
_cell_length_c     7.06627
_cell_angle_alpha  112.70312
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       163.67902
_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 0.25000 0.27235 0.07029 1.00000
  Ho2 Ho 0.75000 0.72765 0.92971 1.00000
  Sn1 Sn 0.75000 0.67889 0.40364 1.00000
  Sn2 Sn 0.25000 0.32111 0.59636 1.00000
  Pt1 Pt 0.25000 0.83453 0.24121 1.00000
  Pt2 Pt 0.75000 0.16547 0.75879 1.00000
  Pt3 Pt 0.75000 0.17353 0.31904 1.00000
  Pt4 Pt 0.25000 0.82647 0.68096 1.00000
Get direct link