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Pm8SmCu4

Alexandria ALEX

Alex-ID: agm097783642 · Space group: Pm (#6)

Basic Information

Formula
Pm8SmCu4
Alex-ID
agm097783642
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
359.76
ų
Cell a
3.7734
Å
Cell b
9.9704
Å
Cell c
10.3248
Å
α angle
67.84
°
β angle
90.00
°
γ angle
90.01
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm8SmCu4
Pm
8.00 · 61.5%
Sm
1.00 · 7.7%
Cu
4.00 · 30.8%

Energy & Stability

Energy above hull
0.0486
eV/atom
Formation energy
-0.0582
eV/atom
Corrected total energy
-60.1242
eV
Raw total energy
-60.1242
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
14.9852
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_785_spg1

Decomposition

SmCu Pm PmCu

Computed at

2025-06-14 01:25:53

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: agm097783642).

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 agm097783642
data_agm097783642
_cell_length_a     3.77337
_cell_length_b     9.97044
_cell_length_c     10.32485
_cell_angle_alpha  67.84449
_cell_angle_beta   89.99933
_cell_angle_gamma  90.00887
_cell_volume       359.76162
_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 0.80808 0.98281 0.37958 1.00000
  Pm2 Pm 0.80787 0.66535 0.06760 1.00000
  Pm3 Pm 0.80789 0.61772 0.65881 1.00000
  Pm4 Pm 0.30744 0.29584 0.69316 1.00000
  Pm5 Pm 0.30814 0.68828 0.35554 1.00000
  Pm6 Pm 0.30779 0.32311 0.30831 1.00000
  Pm7 Pm 0.80781 0.32210 0.99749 1.00000
  Pm8 Pm 0.30746 0.90182 0.72318 1.00000
  Sm1 Sm 0.30760 0.98963 0.06684 1.00000
  Cu1 Cu 0.80733 0.05383 0.83840 1.00000
  Cu2 Cu 0.30777 0.55954 0.90120 1.00000
  Cu3 Cu 0.80779 0.44330 0.44990 1.00000
  Cu4 Cu 0.80704 0.15667 0.55999 1.00000
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