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Pm4Ag3Hg

Alexandria ALEX

Alex-ID: agm003554153 · Space group: Pmm2 (#25)

Alexandria Database API

Basic Information

Formula
Pm4Ag3Hg
Alex-ID
agm003554153
Elements
3
Sites
8
Space group
Pmm2 (#25)
Crystal system
orthorhombic
Volume
216.31
ų
Cell a
3.8132
Å
Cell b
4.9149
Å
Cell c
11.5419
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm4Ag3Hg
Pm
4.00 · 50.0%
Ag
3.00 · 37.5%
Hg
1.00 · 12.5%

Energy & Stability

Energy above hull
0.0331
eV/atom
Formation energy
-0.2868
eV/atom
Corrected total energy
-30.2117
eV
Raw total energy
-30.2117
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
8.4068
Total magnetisation
0.0005
μB

Additional Information

Prototype ID

AB3C4_77_spg25

Decomposition

Pm4Ag3Hg

Computed at

2022-03-21 09:29:43.382780

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: agm003554153).

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 agm003554153
data_agm003554153
_cell_length_a     3.81316
_cell_length_b     4.91485
_cell_length_c     11.54194
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       216.30918
_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 0.35983 1.00000
  Pm2 Pm 0.00000 0.50000 0.85000 1.00000
  Pm3 Pm 0.00000 0.00000 0.14813 1.00000
  Pm4 Pm 0.50000 0.00000 0.64201 1.00000
  Ag1 Ag 0.00000 0.50000 0.57637 1.00000
  Ag2 Ag 0.00000 0.00000 0.42483 1.00000
  Ag3 Ag 0.50000 0.00000 0.91883 1.00000
  Hg1 Hg 0.50000 0.50000 0.08001 1.00000
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