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Sr8PmAg4

Alexandria ALEX

Alex-ID: agm097497675 · Space group: Cm (#8)

Basic Information

Formula
Sr8PmAg4
Alex-ID
agm097497675
Elements
3
Sites
13
Space group
Cm (#8)
Crystal system
monoclinic
Volume
509.35
ų
Cell a
4.4211
Å
Cell b
11.4772
Å
Cell c
11.1354
Å
α angle
67.18
°
β angle
89.99
°
γ angle
101.09
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr8PmAg4
Sr
8.00 · 61.5%
Pm
1.00 · 7.7%
Ag
4.00 · 30.8%

Energy & Stability

Energy above hull
0.0483
eV/atom
Formation energy
-0.1566
eV/atom
Corrected total energy
-31.7069
eV
Raw total energy
-31.7069
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
10.6638
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1608_spg8

Decomposition

Sr3Ag2 Sr7Ag3 Pm

Computed at

2025-06-19 03:18:43

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: agm097497675).

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 agm097497675
data_agm097497675
_cell_length_a     4.42114
_cell_length_b     11.47717
_cell_length_c     11.13544
_cell_angle_alpha  67.18375
_cell_angle_beta   89.99183
_cell_angle_gamma  101.08886
_cell_volume       509.35413
_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
  Sr1 Sr 0.71169 0.34629 0.10014 1.00000
  Sr2 Sr 0.89074 0.70451 0.22857 1.00000
  Sr3 Sr 0.38601 0.69500 0.55007 1.00000
  Sr4 Sr 0.57266 0.06864 0.66063 1.00000
  Sr5 Sr 0.05198 0.02703 0.34640 1.00000
  Sr6 Sr 0.22961 0.38149 0.39963 1.00000
  Sr7 Sr 0.19089 0.30456 0.80815 1.00000
  Sr8 Sr 0.38350 0.69025 0.92025 1.00000
  Pm1 Pm 0.54050 0.00473 0.05156 1.00000
  Ag1 Ag 0.00333 0.93042 0.90208 1.00000
  Ag2 Ag 0.81163 0.54634 0.78733 1.00000
  Ag3 Ag 0.77030 0.46269 0.56643 1.00000
  Ag4 Ag 0.95717 0.83807 0.67875 1.00000
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