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Pm2Ag3

Alexandria ALEX

Alex-ID: agm033377191 · Space group: I4/mmm (#139)

Basic Information

Formula
Pm2Ag3
Alex-ID
agm033377191
Elements
2
Sites
5
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
121.36
ų
Cell a
9.0064
Å
Cell b
9.0064
Å
Cell c
9.0064
Å
α angle
155.93
°
β angle
155.93
°
γ angle
34.29
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm2Ag3
Pm
2.00 · 40.0%
Ag
3.00 · 60.0%

Energy & Stability

Energy above hull
0.0169
eV/atom
Formation energy
-0.2534
eV/atom
Corrected total energy
-19.3220
eV
Raw total energy
-19.3220
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.9253
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3_136_spg44

Decomposition

PmAg2 PmAg

Computed at

2025-04-15 15:27:43

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: agm033377191).

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 agm033377191
data_agm033377191
_cell_length_a     9.00638
_cell_length_b     9.00638
_cell_length_c     9.00638
_cell_angle_alpha  155.93389
_cell_angle_beta   155.93389
_cell_angle_gamma  34.29463
_cell_volume       121.36005
_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 0.60837 0.60837 0.00000 1.00000
  Pm2 Pm 0.39163 0.39163 0.00000 1.00000
  Ag1 Ag 0.79095 0.79095 0.00000 1.00000
  Ag2 Ag 0.20905 0.20905 0.00000 1.00000
  Ag3 Ag 0.00000 0.00000 0.00000 1.00000
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