In5(GeN3)2

Alexandria ALEX

Alex-ID: agm005223976 · Space group: C2/c (#15)

Alexandria Database API

Basic Information

Formula

In5(GeN3)2

Alex-ID

agm005223976

Elements

Sites

Space group

C2/c (#15)

Crystal system

monoclinic

Volume

427.23

Å³

Cell a

6.1362

Cell b

6.1362

Cell c

13.0990

α angle

86.60

β angle

86.60

γ angle

60.26

Composition

Element Composition (atomic fraction)

Composition Info

Formula

In5(GeN3)2

10.00 · 38.5%

4.00 · 15.4%

12.00 · 46.2%

Energy & Stability

Energy above hull

0.3489

eV/atom

Formation energy

0.2130

eV/atom

Corrected total energy

-136.0563

Raw total energy

-136.0563

Electronic Structure

Indirect band gap

0.0000

Direct band gap

0.0000

DOS at Fermi level

5.1087

Total magnetisation

-0.0003

μB

Additional Information

Prototype ID

A2B5C6_44_spg15

Decomposition

Ge3N4 In InN

Computed at

2023-05-10 16:11:54.603784

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: agm005223976).

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 agm005223976
data_agm005223976
_cell_length_a     6.13621
_cell_length_b     6.13621
_cell_length_c     13.09896
_cell_angle_alpha  86.59997
_cell_angle_beta   86.59997
_cell_angle_gamma  60.25731
_cell_volume       427.23298
_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
  In1 In 0.54596 0.45404 0.25000 1.00000
  In2 In 0.45404 0.54596 0.75000 1.00000
  In3 In 0.27123 0.58676 0.45035 1.00000
  In4 In 0.41324 0.72877 0.04965 1.00000
  In5 In 0.72877 0.41324 0.54965 1.00000
  In6 In 0.58676 0.27123 0.95035 1.00000
  In7 In 0.88109 0.82773 0.19598 1.00000
  In8 In 0.17227 0.11891 0.30402 1.00000
  In9 In 0.11891 0.17227 0.80402 1.00000
  In10 In 0.82773 0.88109 0.69598 1.00000
  Ge1 Ge 0.05285 0.33915 0.08751 1.00000
  Ge2 Ge 0.66085 0.94715 0.41249 1.00000
  Ge3 Ge 0.94715 0.66085 0.91249 1.00000
  Ge4 Ge 0.33915 0.05285 0.58751 1.00000
  N1 N 0.15279 0.42476 0.20342 1.00000
  N2 N 0.57524 0.84721 0.29658 1.00000
  N3 N 0.84721 0.57524 0.79658 1.00000
  N4 N 0.42476 0.15279 0.70342 1.00000
  N5 N 0.79228 0.69120 0.04560 1.00000
  N6 N 0.30880 0.20772 0.45440 1.00000
  N7 N 0.20772 0.30880 0.95440 1.00000
  N8 N 0.69120 0.79228 0.54560 1.00000
  N9 N 0.08494 0.02416 0.13009 1.00000
  N10 N 0.97584 0.91506 0.36991 1.00000
  N11 N 0.91506 0.97584 0.86991 1.00000
  N12 N 0.02416 0.08494 0.63009 1.00000

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