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Pm8SbN4

Alexandria ALEX

Alex-ID: agm003671706 · Space group: F-43m (#216)

Basic Information

Formula
Pm8SbN4
Alex-ID
agm003671706
Elements
3
Sites
13
Space group
F-43m (#216)
Crystal system
cubic
Volume
326.52
ų
Cell a
7.7294
Å
Cell b
7.7294
Å
Cell c
7.7294
Å
α angle
60.00
°
β angle
60.00
°
γ angle
60.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm8SbN4
Pm
8.00 · 61.5%
Sb
1.00 · 7.7%
N
4.00 · 30.8%

Energy & Stability

Energy above hull
0.3115
eV/atom
Formation energy
-0.8952
eV/atom
Corrected total energy
-85.5743
eV
Raw total energy
-85.5743
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.1319
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_11_spg216

Decomposition

Pm6N5 Pm5Sb3 Pm

Computed at

2022-04-28 02:02:28.994444

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: agm003671706).

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 agm003671706
data_agm003671706
_cell_length_a     7.72936
_cell_length_b     7.72936
_cell_length_c     7.72936
_cell_angle_alpha  60.00000
_cell_angle_beta   60.00000
_cell_angle_gamma  60.00000
_cell_volume       326.52409
_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 0.57932 0.14023 0.14023 1.00000
  Pm2 Pm 0.14023 0.57932 0.14023 1.00000
  Pm3 Pm 0.14023 0.14023 0.57932 1.00000
  Pm4 Pm 0.14023 0.14023 0.14023 1.00000
  Pm5 Pm 0.19362 0.60213 0.60213 1.00000
  Pm6 Pm 0.60213 0.19361 0.60213 1.00000
  Pm7 Pm 0.60213 0.60213 0.19361 1.00000
  Pm8 Pm 0.60213 0.60213 0.60213 1.00000
  Sb1 Sb 0.75000 0.75000 0.75000 1.00000
  N1 N 0.88643 0.37119 0.37119 1.00000
  N2 N 0.37119 0.88643 0.37119 1.00000
  N3 N 0.37119 0.37119 0.88643 1.00000
  N4 N 0.37119 0.37119 0.37119 1.00000
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