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Pm2HoCo4

Alexandria ALEX

Alex-ID: agm015375464 · Space group: Immm (#71)

Basic Information

Formula
Pm2HoCo4
Alex-ID
agm015375464
Elements
3
Sites
7
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
137.79
ų
Cell a
9.1277
Å
Cell b
9.1277
Å
Cell c
9.1277
Å
α angle
155.29
°
β angle
154.27
°
γ angle
35.97
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm2HoCo4
Pm
2.00 · 28.6%
Ho
1.00 · 14.3%
Co
4.00 · 57.1%

Energy & Stability

Energy above hull
0.0311
eV/atom
Formation energy
-0.1275
eV/atom
Corrected total energy
-43.4672
eV
Raw total energy
-43.4672
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0017
eV
DOS at Fermi level
6.6852
Total magnetisation
2.1874
μB

Additional Information

Prototype ID

AB2C4_169_spg71

Decomposition

HoCo2 PmCo

Computed at

2025-04-18 00:15:13

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: agm015375464).

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 agm015375464
data_agm015375464
_cell_length_a     9.12775
_cell_length_b     9.12775
_cell_length_c     9.12775
_cell_angle_alpha  155.29464
_cell_angle_beta   154.27418
_cell_angle_gamma  35.96747
_cell_volume       137.79346
_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 0.31735 0.31735 0.00000 1.00000
  Pm2 Pm 0.68265 0.68265 0.00000 1.00000
  Ho1 Ho 0.50000 0.00000 0.50000 1.00000
  Co1 Co 0.12839 0.12839 0.00000 1.00000
  Co2 Co 0.87161 0.87161 1.00000 1.00000
  Co3 Co 0.06462 0.56462 0.50000 1.00000
  Co4 Co 0.93538 0.43538 0.50000 1.00000
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