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Pm3Ge4Rh7

Alexandria ALEX

Alex-ID: agm005694196 · Space group: C2/m (#12)

Basic Information

Formula
Pm3Ge4Rh7
Alex-ID
agm005694196
Elements
3
Sites
14
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
248.36
ų
Cell a
4.1161
Å
Cell b
8.0581
Å
Cell c
8.3397
Å
α angle
70.69
°
β angle
75.71
°
γ angle
75.20
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm3Ge4Rh7
Pm
3.00 · 21.4%
Ge
4.00 · 28.6%
Rh
7.00 · 50.0%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.8337
eV/atom
Corrected total energy
-95.8535
eV
Raw total energy
-95.8535
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0561
eV
DOS at Fermi level
6.0946
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B4C7_8_spg12

Decomposition

Pm3Ge4Rh7

Computed at

2023-06-29 16:26:20.079766

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: agm005694196).

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 agm005694196
data_agm005694196
_cell_length_a     4.11607
_cell_length_b     8.05811
_cell_length_c     8.33969
_cell_angle_alpha  70.68942
_cell_angle_beta   75.71319
_cell_angle_gamma  75.20277
_cell_volume       248.36343
_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 0.32978 0.17442 0.16603 1.00000
  Pm2 Pm 0.67022 0.82558 0.83397 1.00000
  Pm3 Pm 0.00000 0.50000 0.50000 1.00000
  Ge1 Ge 0.66534 0.44820 0.22111 1.00000
  Ge2 Ge 0.33466 0.55180 0.77889 1.00000
  Ge3 Ge 0.88681 0.88980 0.33658 1.00000
  Ge4 Ge 0.11319 0.11020 0.66342 1.00000
  Rh1 Rh 0.30631 0.84495 0.54243 1.00000
  Rh2 Rh 0.49424 0.23386 0.77766 1.00000
  Rh3 Rh 0.83894 0.39916 0.92296 1.00000
  Rh4 Rh 0.69369 0.15505 0.45757 1.00000
  Rh5 Rh 0.16106 0.60084 0.07704 1.00000
  Rh6 Rh 0.00000 0.00000 0.00000 1.00000
  Rh7 Rh 0.50576 0.76614 0.22234 1.00000
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