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Pm4GeN

Alexandria ALEX

Alex-ID: agm003733447 · Space group: P2/m (#10)

Basic Information

Formula
Pm4GeN
Alex-ID
agm003733447
Elements
3
Sites
12
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
333.43
ų
Cell a
3.6794
Å
Cell b
10.2185
Å
Cell c
8.9541
Å
α angle
97.94
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm4GeN
Pm
8.00 · 66.7%
Ge
2.00 · 16.7%
N
2.00 · 16.7%

Energy & Stability

Energy above hull
0.1797
eV/atom
Formation energy
-0.6908
eV/atom
Corrected total energy
-71.4344
eV
Raw total energy
-71.4344
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0041
eV
DOS at Fermi level
12.7431
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC4_1214_spg10

Decomposition

Pm10Ge6N Pm6N5 Pm

Computed at

2022-05-04 16:00:20.108456

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: agm003733447).

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 agm003733447
data_agm003733447
_cell_length_a     3.67941
_cell_length_b     10.21854
_cell_length_c     8.95413
_cell_angle_alpha  97.94468
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       333.42794
_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 0.50002 0.66759 0.55127 1.00000
  Pm2 Pm 0.50002 0.83241 0.94873 1.00000
  Pm3 Pm 0.99988 0.97782 0.27660 1.00000
  Pm4 Pm 0.99988 0.52218 0.22340 1.00000
  Pm5 Pm 0.00012 0.02218 0.72340 1.00000
  Pm6 Pm 0.00012 0.47782 0.77660 1.00000
  Pm7 Pm 0.49998 0.16759 0.05127 1.00000
  Pm8 Pm 0.49998 0.33241 0.44873 1.00000
  Ge1 Ge 0.50034 0.25000 0.75000 1.00000
  Ge2 Ge 0.49966 0.75000 0.25000 1.00000
  N1 N 0.00000 0.50000 0.50000 1.00000
  N2 N 0.00000 0.00000 0.00000 1.00000
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