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PmHoNi

Alexandria ALEX

Alex-ID: agm005674481 · Space group: Immm (#71)

Basic Information

Formula
PmHoNi
Alex-ID
agm005674481
Elements
3
Sites
6
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
165.71
ų
Cell a
8.0408
Å
Cell b
8.0408
Å
Cell c
8.0408
Å
α angle
154.52
°
β angle
131.85
°
γ angle
55.25
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
PmHoNi
Pm
2.00 · 33.3%
Ho
2.00 · 33.3%
Ni
2.00 · 33.3%

Energy & Stability

Energy above hull
0.2742
eV/atom
Formation energy
-0.0394
eV/atom
Corrected total energy
-30.4624
eV
Raw total energy
-30.4624
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0359
eV
DOS at Fermi level
8.8368
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC_738_spg71

Decomposition

HoNi Pm

Computed at

2023-06-20 15:02:38.762879

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: agm005674481).

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 agm005674481
data_agm005674481
_cell_length_a     8.04081
_cell_length_b     8.04081
_cell_length_c     8.04081
_cell_angle_alpha  154.52452
_cell_angle_beta   131.85083
_cell_angle_gamma  55.25235
_cell_volume       165.71303
_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
  Pm1 Pm 0.37156 0.87156 0.50000 1.00000
  Pm2 Pm 0.62844 0.12844 0.50000 1.00000
  Ho1 Ho 0.12159 0.62159 0.50000 1.00000
  Ho2 Ho 0.87841 0.37841 0.50000 1.00000
  Ni1 Ni 0.18787 0.00000 0.18787 1.00000
  Ni2 Ni 0.81213 0.00000 0.81213 1.00000
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