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Sr3Er(Ni2Ge)4

Alexandria ALEX

Alex-ID: agm058063191 · Space group: R-3m (#166)

Alexandria Database API

Basic Information

Formula
Sr3Er(Ni2Ge)4
Alex-ID
agm058063191
Elements
4
Sites
16
Space group
R-3m (#166)
Crystal system
trigonal
Volume
300.28
ų
Cell a
20.4820
Å
Cell b
20.4820
Å
Cell c
20.4820
Å
α angle
11.57
°
β angle
11.57
°
γ angle
11.57
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr3Er(Ni2Ge)4
Sr
3.00 · 18.8%
Er
1.00 · 6.3%
Ni
8.00 · 50.0%
Ge
4.00 · 25.0%

Energy & Stability

Energy above hull
0.0344
eV/atom
Formation energy
-0.4490
eV/atom
Corrected total energy
-81.5559
eV
Raw total energy
-81.5558
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.8688
Total magnetisation
0.0002
μB

Additional Information

Prototype ID

AB3C4D8_18_spg12

Decomposition

Er2(Ni3Ge)3 Er2Ni7 SrNiGe SrNi2Ge

Computed at

2025-03-07 06:16:34.665106

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: agm058063191).

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 agm058063191
data_agm058063191
_cell_length_a     20.48198
_cell_length_b     20.48198
_cell_length_c     20.48198
_cell_angle_alpha  11.56864
_cell_angle_beta   11.56864
_cell_angle_gamma  11.56864
_cell_volume       300.28162
_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 0.75296 0.75296 0.75296 1.00000
  Sr2 Sr 0.00000 0.00000 0.00000 1.00000
  Sr3 Sr 0.24704 0.24704 0.24704 1.00000
  Er1 Er 0.50000 0.50000 0.50000 1.00000
  Ni1 Ni 0.95130 0.95130 0.95130 1.00000
  Ni2 Ni 0.70410 0.70410 0.70410 1.00000
  Ni3 Ni 0.19697 0.19697 0.19697 1.00000
  Ni4 Ni 0.45579 0.45579 0.45579 1.00000
  Ni5 Ni 0.54421 0.54421 0.54421 1.00000
  Ni6 Ni 0.29590 0.29590 0.29590 1.00000
  Ni7 Ni 0.80303 0.80303 0.80303 1.00000
  Ni8 Ni 0.04870 0.04870 0.04870 1.00000
  Ge1 Ge 0.62371 0.62371 0.62371 1.00000
  Ge2 Ge 0.37629 0.37629 0.37629 1.00000
  Ge3 Ge 0.87054 0.87054 0.87054 1.00000
  Ge4 Ge 0.12946 0.12946 0.12946 1.00000
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