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CoGe(SbO4)2

Alexandria ALEX

Alex-ID: agm062908482 · Space group: Cmmm (#65)

Basic Information

Formula
CoGe(SbO4)2
Alex-ID
agm062908482
Elements
4
Sites
12
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
134.72
ų
Cell a
4.6504
Å
Cell b
4.6504
Å
Cell c
6.2350
Å
α angle
90.00
°
β angle
90.00
°
γ angle
92.44
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CoGe(SbO4)2
Co
1.00 · 8.3%
Ge
1.00 · 8.3%
Sb
2.00 · 16.7%
O
8.00 · 66.7%

Energy & Stability

Energy above hull
0.0378
eV/atom
Formation energy
-1.8523
eV/atom
Corrected total energy
-81.8796
eV
Raw total energy
-74.3872
eV

Electronic Structure

Indirect band gap
0.0222
eV
Direct band gap
0.0222
eV
DOS at Fermi level
1.9705
Total magnetisation
3.0261
μB

Additional Information

Prototype ID

ABC2D8_1400_spg2

Decomposition

Co(SbO3)2 GeO2

Computed at

2024-12-04 06:07:07

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: agm062908482).

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 agm062908482
data_agm062908482
_cell_length_a     4.65042
_cell_length_b     4.65042
_cell_length_c     6.23504
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  92.44073
_cell_volume       134.71895
_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
  Co1 Co 0.00000 0.00000 0.50000 1.00000
  Ge1 Ge 0.00000 0.00000 0.00000 1.00000
  Sb1 Sb 0.50000 0.50000 0.75043 1.00000
  Sb2 Sb 0.50000 0.50000 0.24957 1.00000
  O1 O 0.19103 0.19103 0.23224 1.00000
  O2 O 0.30088 0.69912 0.00000 1.00000
  O3 O 0.80897 0.80897 0.23224 1.00000
  O4 O 0.80897 0.80897 0.76776 1.00000
  O5 O 0.69912 0.30088 0.00000 1.00000
  O6 O 0.19103 0.19103 0.76776 1.00000
  O7 O 0.30937 0.69063 0.50000 1.00000
  O8 O 0.69063 0.30937 0.50000 1.00000
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