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SrZnGe

Alexandria ALEX

Alex-ID: agm003153243 · Space group: Imm2 (#44)

Basic Information

Formula
SrZnGe
Alex-ID
agm003153243
Elements
3
Sites
6
Space group
Imm2 (#44)
Crystal system
orthorhombic
Volume
151.97
ų
Cell a
4.5676
Å
Cell b
8.3814
Å
Cell c
4.2802
Å
α angle
104.82
°
β angle
90.00
°
γ angle
74.17
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
SrZnGe
Sr
2.00 · 33.3%
Zn
2.00 · 33.3%
Ge
2.00 · 33.3%

Energy & Stability

Energy above hull
0.2858
eV/atom
Formation energy
-0.2428
eV/atom
Corrected total energy
-16.6269
eV
Raw total energy
-16.6269
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0105
eV
DOS at Fermi level
3.7151
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC_27_spg139

Decomposition

SrZnGe

Computed at

2015-04-26 05:02:01

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: agm003153243).

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 agm003153243
data_agm003153243
_cell_length_a     4.56755
_cell_length_b     8.38139
_cell_length_c     4.28016
_cell_angle_alpha  104.81594
_cell_angle_beta   89.99643
_cell_angle_gamma  74.16997
_cell_volume       151.96966
_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 0.89931 0.41901 0.59660 1.00000
  Sr2 Sr 0.21980 0.77813 0.27629 1.00000
  Zn1 Zn 0.56004 0.09793 0.43611 1.00000
  Zn2 Zn 0.66565 0.88598 0.83022 1.00000
  Ge1 Ge 0.45256 0.31228 0.04314 1.00000
  Ge2 Ge 0.05610 0.10416 0.93914 1.00000
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