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Pm8HoIr4

Alexandria ALEX

Alex-ID: agm097572205 · Space group: Pm (#6)

Basic Information

Formula
Pm8HoIr4
Alex-ID
agm097572205
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
358.20
ų
Cell a
3.9155
Å
Cell b
10.4771
Å
Cell c
10.0262
Å
α angle
60.56
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm8HoIr4
Pm
8.00 · 61.5%
Ho
1.00 · 7.7%
Ir
4.00 · 30.8%

Energy & Stability

Energy above hull
0.0711
eV/atom
Formation energy
-0.5180
eV/atom
Corrected total energy
-84.7609
eV
Raw total energy
-84.7609
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
14.5867
Total magnetisation
0.0004
μB

Additional Information

Prototype ID

AB4C8_786_spg8

Decomposition

Ho5Ir3 Pm5Ir2 Pm5Ir3

Computed at

2025-06-18 02:40:21

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: agm097572205).

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 agm097572205
data_agm097572205
_cell_length_a     3.91549
_cell_length_b     10.47714
_cell_length_c     10.02615
_cell_angle_alpha  60.56319
_cell_angle_beta   90.00023
_cell_angle_gamma  89.99614
_cell_volume       358.20386
_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 0.23056 0.09554 0.29784 1.00000
  Pm2 Pm 0.73095 0.69300 0.99968 1.00000
  Pm3 Pm 0.23079 0.69841 0.66410 1.00000
  Pm4 Pm 0.23079 0.28661 0.70667 1.00000
  Pm5 Pm 0.23067 0.68848 0.32720 1.00000
  Pm6 Pm 0.73111 0.38139 0.35702 1.00000
  Pm7 Pm 0.73092 0.38747 0.95032 1.00000
  Pm8 Pm 0.73068 0.00243 0.64967 1.00000
  Ho1 Ho 0.73056 0.99600 0.05231 1.00000
  Ir1 Ir 0.23066 0.94346 0.88502 1.00000
  Ir2 Ir 0.23103 0.44138 0.12469 1.00000
  Ir3 Ir 0.73078 0.52153 0.58945 1.00000
  Ir4 Ir 0.73051 0.86429 0.39604 1.00000
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