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Ce2Ho(InPt)3

Alexandria ALEX

Alex-ID: agm032016454 · Space group: Amm2 (#38)

Alexandria Database API

Basic Information

Formula
Ce2Ho(InPt)3
Alex-ID
agm032016454
Elements
4
Sites
9
Space group
Amm2 (#38)
Crystal system
orthorhombic
Volume
202.52
ų
Cell a
7.6517
Å
Cell b
7.6517
Å
Cell c
3.9906
Å
α angle
90.00
°
β angle
90.00
°
γ angle
119.92
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce2Ho(InPt)3
Ce
2.00 · 22.2%
Ho
1.00 · 11.1%
In
3.00 · 33.3%
Pt
3.00 · 33.3%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.9604
eV/atom
Corrected total energy
-51.4276
eV
Raw total energy
-51.4276
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0032
eV
DOS at Fermi level
9.2399
Total magnetisation
0.4660
μB

Additional Information

Prototype ID

AB2C3D3_0_spg189

Decomposition

Ce2Ho(InPt)3

Computed at

2024-12-10 23:35:59

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: agm032016454).

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 agm032016454
data_agm032016454
_cell_length_a     7.65173
_cell_length_b     7.65173
_cell_length_c     3.99064
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  119.91562
_cell_volume       202.51645
_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
  Ce1 Ce 0.59023 0.00113 0.50000 1.00000
  Ce2 Ce 0.00113 0.59023 0.50000 1.00000
  Ho1 Ho 0.40675 0.40675 0.50000 1.00000
  In1 In 0.74021 0.74021 0.00000 1.00000
  In2 In 0.25658 0.00517 0.00000 1.00000
  In3 In 0.00517 0.25658 0.00000 1.00000
  Pt1 Pt 0.66957 0.33288 0.00000 1.00000
  Pt2 Pt 0.33288 0.66957 0.00000 1.00000
  Pt3 Pt 0.99896 0.99896 0.50000 1.00000
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