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Pm4AgRh

Alexandria ALEX

Alex-ID: agm003736069 · Space group: P2/m (#10)

Basic Information

Formula
Pm4AgRh
Alex-ID
agm003736069
Elements
3
Sites
6
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
187.75
ų
Cell a
4.1715
Å
Cell b
6.2066
Å
Cell c
7.8110
Å
α angle
68.18
°
β angle
89.93
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm4AgRh
Pm
4.00 · 66.7%
Ag
1.00 · 16.7%
Rh
1.00 · 16.7%

Energy & Stability

Energy above hull
0.1644
eV/atom
Formation energy
-0.2339
eV/atom
Corrected total energy
-30.6088
eV
Raw total energy
-30.6088
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0388
eV
DOS at Fermi level
5.7220
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC4_1252_spg10

Decomposition

Pm4AgRh

Computed at

2022-04-18 22:17:42.685769

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: agm003736069).

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 agm003736069
data_agm003736069
_cell_length_a     4.17154
_cell_length_b     6.20664
_cell_length_c     7.81101
_cell_angle_alpha  68.18425
_cell_angle_beta   89.92974
_cell_angle_gamma  90.00455
_cell_volume       187.75318
_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 0.50155 0.96300 0.26291 1.00000
  Pm2 Pm 0.50106 0.03163 0.73352 1.00000
  Pm3 Pm 0.00165 0.53177 0.70974 1.00000
  Pm4 Pm 0.00090 0.46290 0.28636 1.00000
  Ag1 Ag 0.50130 0.49710 0.99809 1.00000
  Rh1 Rh 0.00132 0.99732 0.49821 1.00000
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