Ge3C
Traditional Materials TRAMP-ID: mp-973155 · Space group: P6_3/mmc (#194)
Basic Information
Formula
Ge3C
MP-ID
mp-973155
Elements
2
Sites
8
Density
5.9744
g/cm³
Volume
127.82
ų
Cell a
5.7543
Å
Cell b
5.7543
Å
Cell c
4.4573
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 17.80 | 4.9834 | 1.9 | (1,0,-1,0) |
| 26.84 | 3.3223 | 32.7 | (1,0,-1,1) |
| 31.08 | 2.8772 | 7.0 | (2,-1,-1,0) |
| 31.08 | 2.8772 | 3.5 | (1,1,-2,0) |
| 36.05 | 2.4917 | 25.0 | (2,0,-2,0) |
| 40.48 | 2.2287 | 24.6 | (0,0,0,2) |
| 41.52 | 2.1749 | 100.0 | (2,0,-2,1) |
| 48.32 | 1.8835 | 6.1 | (3,-1,-2,0) |
| 51.90 | 1.7619 | 5.3 | (2,-1,-1,2) |
| 52.76 | 1.7350 | 2.5 | (3,-1,-2,1) |
| 52.76 | 1.7350 | 1.3 | (2,1,-3,1) |
| 55.30 | 1.6611 | 14.0 | (2,0,-2,2) |
| 55.30 | 1.6611 | 2.5 | (3,0,-3,0) |
| 59.38 | 1.5565 | 1.5 | (3,0,-3,1) |
| 64.81 | 1.4386 | 5.0 | (3,-1,-2,2) |
| 64.81 | 1.4386 | 10.8 | (4,-2,-2,0) |
| 64.81 | 1.4386 | 5.4 | (2,2,-4,0) |
| 65.56 | 1.4238 | 2.8 | (1,0,-1,3) |
| 70.74 | 1.3319 | 2.4 | (3,0,-3,2) |
| 71.46 | 1.3201 | 1.1 | (4,-3,-1,1) |
| 71.46 | 1.3201 | 2.2 | (4,-1,-3,1) |
| 74.33 | 1.2761 | 17.0 | (2,0,-2,3) |
| 76.46 | 1.2458 | 1.6 | (4,0,-4,0) |
| 79.26 | 1.2087 | 12.0 | (4,-2,-2,2) |
Energy Properties
Formation Energy/atom
1.38624
eV/atom
Energy/atom
-11.50456
eV/atom
Energy above Hull
1.3862
eV/atom
Uncorrected Energy
-4.3882
eV/atom
Volume/atom
15.98
ų
c/a Ratio
0.7746
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0001
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ge · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.250
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.521
Family
Binary Alloy
Matrix Element
Ge · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-973155
Reference Citation
The crystal structure and related material properties of Ge3C were obtained from the Materials Project database (MP-ID: mp-973155, database version v2026.04.13).
Literature Citation
Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0
3D Crystal Structure Rendering
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Raw CIF Data
# generated using pymatgen
data_Ge3C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.75429059
_cell_length_b 5.75429059
_cell_length_c 4.45729300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000676
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ge3C
_chemical_formula_sum 'Ge6 C2'
_cell_volume 127.81604200
_cell_formula_units_Z 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ge Ge0 1 0.17581300 0.35162600 0.25000000 1.0
Ge Ge1 1 0.64837400 0.82418700 0.25000000 1.0
Ge Ge2 1 0.17581300 0.82418700 0.25000000 1.0
Ge Ge3 1 0.82418700 0.64837400 0.75000000 1.0
Ge Ge4 1 0.35162600 0.17581300 0.75000000 1.0
Ge Ge5 1 0.82418700 0.17581300 0.75000000 1.0
C C6 1 0.33333300 0.66666700 0.75000000 1.0
C C7 1 0.66666700 0.33333300 0.25000000 1.0
