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Sr8PrCu4

Alexandria ALEX

Alex-ID: agm097854643 · Space group: Cm (#8)

Basic Information

Formula
Sr8PrCu4
Alex-ID
agm097854643
Elements
3
Sites
13
Space group
Cm (#8)
Crystal system
monoclinic
Volume
481.28
ų
Cell a
4.3165
Å
Cell b
11.1978
Å
Cell c
10.8749
Å
α angle
69.35
°
β angle
90.00
°
γ angle
78.86
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr8PrCu4
Sr
8.00 · 61.5%
Pr
1.00 · 7.7%
Cu
4.00 · 30.8%

Energy & Stability

Energy above hull
0.0639
eV/atom
Formation energy
0.0039
eV/atom
Corrected total energy
-34.8884
eV
Raw total energy
-34.8884
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.1337
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1608_spg8

Decomposition

Sr2PrCu4 Sr

Computed at

2025-06-15 05:29:17

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: agm097854643).

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 agm097854643
data_agm097854643
_cell_length_a     4.31651
_cell_length_b     11.19776
_cell_length_c     10.87485
_cell_angle_alpha  69.34928
_cell_angle_beta   89.99525
_cell_angle_gamma  78.86397
_cell_volume       481.27743
_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 0.13190 0.35148 0.09784 1.00000
  Sr2 Sr 0.95681 0.70169 0.23068 1.00000
  Sr3 Sr 0.45651 0.70177 0.55425 1.00000
  Sr4 Sr 0.28192 0.05176 0.66448 1.00000
  Sr5 Sr 0.79328 0.02902 0.34101 1.00000
  Sr6 Sr 0.61706 0.38042 0.41604 1.00000
  Sr7 Sr 0.64748 0.32025 0.79821 1.00000
  Sr8 Sr 0.46594 0.68448 0.92018 1.00000
  Pr1 Pr 0.30665 0.00296 0.03315 1.00000
  Cu1 Cu 0.85075 0.91464 0.89352 1.00000
  Cu2 Cu 0.02714 0.56132 0.77067 1.00000
  Cu3 Cu 0.06634 0.48036 0.57660 1.00000
  Cu4 Cu 0.89822 0.81985 0.70337 1.00000
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