Sr4MnCo(Ge2O7)2

Alexandria ALEX

Alex-ID: agm010701718 · Space group: P-4 (#81)

Alexandria Database API

Basic Information

Formula

Sr4MnCo(Ge2O7)2

Alex-ID

agm010701718

Elements

Sites

Space group

P-4 (#81)

Crystal system

tetragonal

Volume

374.54

Å³

Cell a

8.3305

Cell b

8.3305

Cell c

5.3970

α angle

90.00

β angle

90.00

γ angle

90.00

Composition

Element Composition (atomic fraction)

Composition Info

Formula

Sr4MnCo(Ge2O7)2

4.00 · 16.7%

1.00 · 4.2%

4.00 · 16.7%

14.00 · 58.3%

Energy & Stability

Energy above hull

0.0001

eV/atom

Formation energy

-2.5750

eV/atom

Corrected total energy

-172.7363

Raw total energy

-159.3494

Electronic Structure

Indirect band gap

2.0478

Direct band gap

2.1072

DOS at Fermi level

0.0000

Total magnetisation

8.0386

μB

Additional Information

Prototype ID

ABC4D4E14_3_spg81

Decomposition

Sr2CoGe2O7 SrGeO3 SrMnGeO4

Computed at

2024-07-24 10:06:25.579403

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: agm010701718).

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

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Raw CIF Data

# CIF generated by HEAS from Alexandria entry agm010701718
data_agm010701718
_cell_length_a     8.33053
_cell_length_b     8.33053
_cell_length_c     5.39698
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       374.53811
_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 0.33854 0.82870 0.00683 1.00000
  Sr2 Sr 0.82870 0.66146 0.99317 1.00000
  Sr3 Sr 0.66146 0.17130 0.00683 1.00000
  Sr4 Sr 0.17130 0.33854 0.99317 1.00000
  Mn1 Mn 0.00000 0.00000 0.50000 1.00000
  Co1 Co 0.50000 0.50000 0.50000 1.00000
  Ge1 Ge 0.14526 0.63840 0.44751 1.00000
  Ge2 Ge 0.63840 0.85474 0.55249 1.00000
  Ge3 Ge 0.85474 0.36160 0.44751 1.00000
  Ge4 Ge 0.36160 0.14526 0.55249 1.00000
  O1 O 0.50000 0.00000 0.68745 1.00000
  O2 O 0.00000 0.50000 0.31255 1.00000
  O3 O 0.09122 0.81620 0.28781 1.00000
  O4 O 0.90878 0.18380 0.28781 1.00000
  O5 O 0.18380 0.09122 0.71219 1.00000
  O6 O 0.81620 0.90878 0.71219 1.00000
  O7 O 0.57280 0.67921 0.71186 1.00000
  O8 O 0.42720 0.32079 0.71186 1.00000
  O9 O 0.67921 0.42720 0.28814 1.00000
  O10 O 0.32079 0.57280 0.28814 1.00000
  O11 O 0.14232 0.63509 0.77000 1.00000
  O12 O 0.63509 0.85768 0.23000 1.00000
  O13 O 0.85768 0.36491 0.77000 1.00000
  O14 O 0.36491 0.14232 0.23000 1.00000

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