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AcPm5Pt2

Alexandria ALEX

Alex-ID: agm003480293 · Space group: Immm (#71)

Basic Information

Formula
AcPm5Pt2
Alex-ID
agm003480293
Elements
3
Sites
8
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
258.31
ų
Cell a
4.8146
Å
Cell b
8.2155
Å
Cell c
8.2155
Å
α angle
57.50
°
β angle
72.96
°
γ angle
72.96
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
AcPm5Pt2
Ac
1.00 · 12.5%
Pm
5.00 · 62.5%
Pt
2.00 · 25.0%

Energy & Stability

Energy above hull
0.1085
eV/atom
Formation energy
-0.5182
eV/atom
Corrected total energy
-44.1835
eV
Raw total energy
-44.1835
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0138
eV
DOS at Fermi level
8.7798
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C5_56_spg71

Decomposition

Pm3Pt Pm7Pt3 Ac

Computed at

2022-02-22 19:37:06.094478

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: agm003480293).

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 agm003480293
data_agm003480293
_cell_length_a     4.81458
_cell_length_b     8.21545
_cell_length_c     8.21545
_cell_angle_alpha  57.50332
_cell_angle_beta   72.96117
_cell_angle_gamma  72.96117
_cell_volume       258.31213
_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 0.00000 0.00000 0.00000 1.00000
  Pm1 Pm 0.00000 0.50000 0.50000 1.00000
  Pm2 Pm 0.65121 0.57238 0.12521 1.00000
  Pm3 Pm 0.34879 0.42762 0.87479 1.00000
  Pm4 Pm 0.34879 0.87479 0.42762 1.00000
  Pm5 Pm 0.65121 0.12521 0.57238 1.00000
  Pt1 Pt 0.78958 0.71042 0.71042 1.00000
  Pt2 Pt 0.21042 0.28958 0.28958 1.00000
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