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Ac3(Pm2Sn)2

Alexandria ALEX

Alex-ID: agm003342829 · Space group: C2/m (#12)

Basic Information

Formula
Ac3(Pm2Sn)2
Alex-ID
agm003342829
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
319.85
ų
Cell a
4.3170
Å
Cell b
6.7492
Å
Cell c
12.3133
Å
α angle
71.29
°
β angle
90.00
°
γ angle
108.65
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac3(Pm2Sn)2
Ac
3.00 · 33.3%
Pm
4.00 · 44.4%
Sn
2.00 · 22.2%

Energy & Stability

Energy above hull
0.1212
eV/atom
Formation energy
-0.2963
eV/atom
Corrected total energy
-42.0002
eV
Raw total energy
-42.0002
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
10.6999
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

A2B3C4_298_spg12

Decomposition

Pm5Sn3 Ac Pm

Computed at

2022-01-30 04:40:12.913312

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: agm003342829).

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 agm003342829
data_agm003342829
_cell_length_a     4.31704
_cell_length_b     6.74919
_cell_length_c     12.31326
_cell_angle_alpha  71.29078
_cell_angle_beta   90.00000
_cell_angle_gamma  108.65199
_cell_volume       319.84994
_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
  Ac1 Ac 0.33584 0.67168 0.56802 1.00000
  Ac2 Ac 0.00000 0.00000 0.00000 1.00000
  Ac3 Ac 0.66416 0.32832 0.43198 1.00000
  Pm1 Pm 0.69111 0.38222 0.12322 1.00000
  Pm2 Pm 0.02379 0.04758 0.69274 1.00000
  Pm3 Pm 0.97621 0.95242 0.30726 1.00000
  Pm4 Pm 0.30889 0.61778 0.87678 1.00000
  Sn1 Sn 0.33348 0.66696 0.21697 1.00000
  Sn2 Sn 0.66652 0.33304 0.78303 1.00000
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