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Sr2Zn3Pt2

Alexandria ALEX

Alex-ID: agm003309397 · Space group: C2/m (#12)

Basic Information

Formula
Sr2Zn3Pt2
Alex-ID
agm003309397
Elements
3
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
155.51
ų
Cell a
4.1810
Å
Cell b
5.8962
Å
Cell c
7.5402
Å
α angle
114.68
°
β angle
90.00
°
γ angle
110.77
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr2Zn3Pt2
Sr
2.00 · 28.6%
Zn
3.00 · 42.9%
Pt
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0155
eV/atom
Formation energy
-0.6136
eV/atom
Corrected total energy
-23.6848
eV
Raw total energy
-23.6848
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0913
eV
DOS at Fermi level
3.1202
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C3_252_spg12

Decomposition

SrZn5 SrZnPt Sr(Zn2Pt)2

Computed at

2022-02-04 01:36:32.811568

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: agm003309397).

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 agm003309397
data_agm003309397
_cell_length_a     4.18101
_cell_length_b     5.89615
_cell_length_c     7.54019
_cell_angle_alpha  114.67882
_cell_angle_beta   90.00000
_cell_angle_gamma  110.76613
_cell_volume       155.51389
_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 0.86194 0.72388 0.23257 1.00000
  Sr2 Sr 0.13806 0.27612 0.76743 1.00000
  Zn1 Zn 0.50000 0.00000 0.00000 1.00000
  Zn2 Zn 0.65815 0.31630 0.43517 1.00000
  Zn3 Zn 0.34185 0.68370 0.56483 1.00000
  Pt1 Pt 0.86715 0.73430 0.79624 1.00000
  Pt2 Pt 0.13285 0.26570 0.20376 1.00000
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