Co7GeN6
Alexandria ALEXAlex-ID: agm006222902 · Space group: Pbcn (#60)
Basic Information
Formula
Co7GeN6
Alex-ID
agm006222902
Elements
3
Sites
56
Space group
Pbcn (#60)
Crystal system
orthorhombic
Volume
618.90
ų
Cell a
9.9009
Å
Cell b
5.6177
Å
Cell c
11.1273
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°
Composition
Element Composition (atomic fraction)
Composition Info
Formula
Co7GeN6
Co
28.00 · 50.0%
Ge
4.00 · 7.1%
N
24.00 · 42.9%
Energy & Stability
Energy above hull
0.2499
eV/atom
Formation energy
0.1579
eV/atom
Corrected total energy
-399.9519
eV
Raw total energy
-399.9519
eV
Electronic Structure
Indirect band gap
0.0000
eV
Direct band gap
0.0013
eV
DOS at Fermi level
49.8086
Total magnetisation
4.2830
μB
Additional Information
Prototype ID
AB6C7_24_spg60
Decomposition
Ge3N4 Co CoN
Computed at
2024-10-31 17:36:53
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: agm006222902).
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 agm006222902
data_agm006222902
_cell_length_a 9.90094
_cell_length_b 5.61766
_cell_length_c 11.12730
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 618.90143
_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 0.98799 0.71584 0.03392 1.00000
Co2 Co 0.51201 0.78416 0.53392 1.00000
Co3 Co 0.48799 0.78416 0.96608 1.00000
Co4 Co 0.01201 0.71584 0.46608 1.00000
Co5 Co 0.01201 0.28416 0.96608 1.00000
Co6 Co 0.48799 0.21584 0.46608 1.00000
Co7 Co 0.51201 0.21584 0.03392 1.00000
Co8 Co 0.98799 0.28416 0.53392 1.00000
Co9 Co 0.24312 0.68378 0.61105 1.00000
Co10 Co 0.25688 0.81622 0.11105 1.00000
Co11 Co 0.74312 0.81622 0.38895 1.00000
Co12 Co 0.75688 0.68378 0.88895 1.00000
Co13 Co 0.75688 0.31622 0.38895 1.00000
Co14 Co 0.74312 0.18378 0.88895 1.00000
Co15 Co 0.25688 0.18378 0.61105 1.00000
Co16 Co 0.24312 0.31622 0.11105 1.00000
Co17 Co 0.17618 0.60153 0.90531 1.00000
Co18 Co 0.32382 0.89847 0.40531 1.00000
Co19 Co 0.67618 0.89847 0.09469 1.00000
Co20 Co 0.82382 0.60153 0.59469 1.00000
Co21 Co 0.82382 0.39847 0.09469 1.00000
Co22 Co 0.67618 0.10153 0.59469 1.00000
Co23 Co 0.32382 0.10153 0.90531 1.00000
Co24 Co 0.17618 0.39847 0.40531 1.00000
Co25 Co 0.00000 0.42874 0.75000 1.00000
Co26 Co 0.50000 0.07126 0.25000 1.00000
Co27 Co 0.00000 0.57126 0.25000 1.00000
Co28 Co 0.50000 0.92874 0.75000 1.00000
Ge1 Ge 0.00000 0.91690 0.75000 1.00000
Ge2 Ge 0.50000 0.58310 0.25000 1.00000
Ge3 Ge 0.00000 0.08310 0.25000 1.00000
Ge4 Ge 0.50000 0.41690 0.75000 1.00000
N1 N 0.13764 0.66770 0.74818 1.00000
N2 N 0.36236 0.83230 0.24818 1.00000
N3 N 0.63764 0.83230 0.25182 1.00000
N4 N 0.86236 0.66770 0.75182 1.00000
N5 N 0.86236 0.33230 0.25182 1.00000
N6 N 0.63764 0.16770 0.75182 1.00000
N7 N 0.36236 0.16770 0.74818 1.00000
N8 N 0.13764 0.33230 0.24818 1.00000
N9 N 0.19211 0.70599 0.45507 1.00000
N10 N 0.30789 0.79401 0.95507 1.00000
N11 N 0.69211 0.79401 0.54493 1.00000
N12 N 0.80789 0.70599 0.04493 1.00000
N13 N 0.80789 0.29401 0.54493 1.00000
N14 N 0.69211 0.20599 0.04493 1.00000
N15 N 0.30789 0.20599 0.45507 1.00000
N16 N 0.19211 0.29401 0.95507 1.00000
N17 N 0.41708 0.67925 0.66147 1.00000
N18 N 0.08292 0.82075 0.16147 1.00000
N19 N 0.91708 0.82075 0.33853 1.00000
N20 N 0.58292 0.67925 0.83853 1.00000
N21 N 0.58292 0.32075 0.33853 1.00000
N22 N 0.91708 0.17925 0.83853 1.00000
N23 N 0.08292 0.17925 0.66147 1.00000
N24 N 0.41708 0.32075 0.16147 1.00000
