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Na(CoGe3)2

Alexandria ALEX

Alex-ID: agm097970883 · Space group: P1 (#1)

Basic Information

Formula
Na(CoGe3)2
Alex-ID
agm097970883
Elements
3
Sites
9
Space group
P1 (#1)
Crystal system
triclinic
Volume
175.55
ų
Cell a
4.4970
Å
Cell b
4.4556
Å
Cell c
8.7877
Å
α angle
86.56
°
β angle
88.09
°
γ angle
91.96
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Na(CoGe3)2
Na
1.00 · 11.1%
Co
2.00 · 22.2%
Ge
6.00 · 66.7%

Energy & Stability

Energy above hull
0.1763
eV/atom
Formation energy
0.0331
eV/atom
Corrected total energy
-42.9729
eV
Raw total energy
-42.9729
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.4381
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C6_263_spg38

Decomposition

Co5Ge7 Ge NaGe

Computed at

2025-04-07 02:26:36

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: agm097970883).

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 agm097970883
data_agm097970883
_cell_length_a     4.49701
_cell_length_b     4.45563
_cell_length_c     8.78773
_cell_angle_alpha  86.56121
_cell_angle_beta   88.09260
_cell_angle_gamma  91.96128
_cell_volume       175.54969
_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
  Na1 Na 0.48469 0.71646 0.04058 1.00000
  Co1 Co 0.04388 0.89488 0.37373 1.00000
  Co2 Co 0.79408 0.37339 0.53543 1.00000
  Ge1 Ge 0.48486 0.18364 0.77124 1.00000
  Ge2 Ge 0.30890 0.50047 0.49466 1.00000
  Ge3 Ge 0.97018 0.42926 0.24547 1.00000
  Ge4 Ge 0.98132 0.46601 0.82228 1.00000
  Ge5 Ge 0.54426 0.05407 0.33708 1.00000
  Ge6 Ge 0.88784 0.88183 0.62951 1.00000
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