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Pm10Y4Ho

Alexandria ALEX

Alex-ID: agm005998639 · Space group: I4/m (#87)

Basic Information

Formula
Pm10Y4Ho
Alex-ID
agm005998639
Elements
3
Sites
15
Space group
I4/m (#87)
Crystal system
tetragonal
Volume
596.48
ų
Cell a
7.8044
Å
Cell b
9.5737
Å
Cell c
9.5737
Å
α angle
80.44
°
β angle
65.95
°
γ angle
65.95
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm10Y4Ho
Pm
10.00 · 66.7%
Y
4.00 · 26.7%
Ho
1.00 · 6.7%

Energy & Stability

Energy above hull
0.7287
eV/atom
Formation energy
0.7239
eV/atom
Corrected total energy
-67.0783
eV
Raw total energy
-67.0783
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
21.5275
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C10_7_spg87

Decomposition

Pm5Y Pm3Ho5 PmY2

Computed at

2023-08-08 19:03:43.225033

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: agm005998639).

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 agm005998639
data_agm005998639
_cell_length_a     7.80445
_cell_length_b     9.57371
_cell_length_c     9.57371
_cell_angle_alpha  80.43676
_cell_angle_beta   65.94596
_cell_angle_gamma  65.94596
_cell_volume       596.48233
_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 0.25000 0.50000 0.50000 1.00000
  Pm2 Pm 0.65221 0.29831 0.89985 1.00000
  Pm3 Pm 0.04948 0.10015 0.29831 1.00000
  Pm4 Pm 0.44793 0.89985 0.70169 1.00000
  Pm5 Pm 0.85037 0.70169 0.10015 1.00000
  Pm6 Pm 0.34779 0.70169 0.10015 1.00000
  Pm7 Pm 0.75000 0.50000 0.50000 1.00000
  Pm8 Pm 0.14963 0.29831 0.89985 1.00000
  Pm9 Pm 0.55207 0.10015 0.29831 1.00000
  Pm10 Pm 0.95052 0.89985 0.70169 1.00000
  Y1 Y 0.39961 0.80108 0.39970 1.00000
  Y2 Y 0.79931 0.60030 0.80108 1.00000
  Y3 Y 0.20069 0.39970 0.19892 1.00000
  Y4 Y 0.60039 0.19892 0.60030 1.00000
  Ho1 Ho 0.00000 0.00000 0.00000 1.00000
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