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PmY(HoAg2)2

Alexandria ALEX

Alex-ID: agm032839072 · Space group: P4/mmm (#123)

Alexandria Database API

Basic Information

Formula
PmY(HoAg2)2
Alex-ID
agm032839072
Elements
4
Sites
8
Space group
P4/mmm (#123)
Crystal system
tetragonal
Volume
195.50
ų
Cell a
5.1768
Å
Cell b
5.1768
Å
Cell c
7.2949
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
PmY(HoAg2)2
Pm
1.00 · 12.5%
Y
1.00 · 12.5%
Ho
2.00 · 25.0%
Ag
4.00 · 50.0%

Energy & Stability

Energy above hull
0.0080
eV/atom
Formation energy
-0.3091
eV/atom
Corrected total energy
-34.2482
eV
Raw total energy
-34.2482
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.2264
Total magnetisation
-0.0002
μB

Additional Information

Prototype ID

ABC2D4_54_spg6

Decomposition

PmHo4Ag5 PmHoAg2 Y4HoAg5

Computed at

2025-07-01 13:27:28

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: agm032839072).

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 agm032839072
data_agm032839072
_cell_length_a     5.17681
_cell_length_b     5.17681
_cell_length_c     7.29487
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       195.49793
_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 0.50000 0.50000 0.00000 1.00000
  Y1 Y 0.00000 0.00000 0.50000 1.00000
  Ho1 Ho 0.00000 0.00000 0.00000 1.00000
  Ho2 Ho 0.50000 0.50000 0.50000 1.00000
  Ag1 Ag 0.00000 0.50000 0.74387 1.00000
  Ag2 Ag 0.00000 0.50000 0.25613 1.00000
  Ag3 Ag 0.50000 0.00000 0.25613 1.00000
  Ag4 Ag 0.50000 0.00000 0.74387 1.00000
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