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Pm12Ho5Pb2

Alexandria ALEX

Alex-ID: agm003371981 · Space group: C2/m (#12)

Basic Information

Formula
Pm12Ho5Pb2
Alex-ID
agm003371981
Elements
3
Sites
19
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
631.14
ų
Cell a
9.5861
Å
Cell b
9.0646
Å
Cell c
8.5686
Å
α angle
92.48
°
β angle
90.00
°
γ angle
121.92
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm12Ho5Pb2
Pm
12.00 · 63.2%
Ho
5.00 · 26.3%
Pb
2.00 · 10.5%

Energy & Stability

Energy above hull
0.1212
eV/atom
Formation energy
-0.0346
eV/atom
Corrected total energy
-87.9743
eV
Raw total energy
-87.9743
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
25.1316
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

A2B5C12_28_spg12

Decomposition

Pm3Ho5 Pm5Pb3 Pm

Computed at

2022-02-07 09:56:31.023180

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: agm003371981).

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 agm003371981
data_agm003371981
_cell_length_a     9.58607
_cell_length_b     9.06456
_cell_length_c     8.56863
_cell_angle_alpha  92.47703
_cell_angle_beta   90.00000
_cell_angle_gamma  121.92216
_cell_volume       631.13670
_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 0.91717 0.83434 0.11882 1.00000
  Pm2 Pm 0.03162 0.69599 0.76785 1.00000
  Pm3 Pm 0.66437 0.69599 0.76785 1.00000
  Pm4 Pm 0.18190 0.75539 0.35005 1.00000
  Pm5 Pm 0.57349 0.75539 0.35005 1.00000
  Pm6 Pm 0.44714 0.89427 0.68604 1.00000
  Pm7 Pm 0.55286 0.10573 0.31396 1.00000
  Pm8 Pm 0.81810 0.24461 0.64995 1.00000
  Pm9 Pm 0.42651 0.24461 0.64995 1.00000
  Pm10 Pm 0.96838 0.30401 0.23215 1.00000
  Pm11 Pm 0.33563 0.30401 0.23215 1.00000
  Pm12 Pm 0.08283 0.16566 0.88118 1.00000
  Ho1 Ho 0.23433 0.46867 0.58791 1.00000
  Ho2 Ho 0.31856 0.63712 0.99905 1.00000
  Ho3 Ho 0.00000 0.00000 0.50000 1.00000
  Ho4 Ho 0.68144 0.36288 0.00095 1.00000
  Ho5 Ho 0.76567 0.53133 0.41209 1.00000
  Pb1 Pb 0.69220 0.00000 1.00000 1.00000
  Pb2 Pb 0.30780 1.00000 0.00000 1.00000
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