GeB
Traditional Materials TRAMP-ID: mp-1184565 · Space group: P6_3mc (#186)
Basic Information
Formula
GeB
MP-ID
mp-1184565
Elements
2
Sites
4
Density
4.8398
g/cm³
Volume
57.26
ų
Cell a
3.3545
Å
Cell b
3.3545
Å
Cell c
5.8763
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3mc
Point Group
6mm
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 |
|---|---|---|---|
| 30.42 | 2.9382 | 49.6 | (0,0,0,2) |
| 30.78 | 2.9051 | 31.6 | (1,0,-1,0) |
| 30.78 | 2.9051 | 15.8 | (1,-1,0,0) |
| 34.44 | 2.6042 | 100.0 | (1,0,-1,1) |
| 34.44 | 2.6042 | 50.0 | (1,-1,0,1) |
| 43.82 | 2.0658 | 27.2 | (1,0,-1,2) |
| 54.73 | 1.6772 | 11.6 | (1,1,-2,0) |
| 54.73 | 1.6772 | 23.2 | (2,-1,-1,0) |
| 56.68 | 1.6241 | 46.4 | (1,0,-1,3) |
| 63.30 | 1.4691 | 5.4 | (0,0,0,4) |
| 63.91 | 1.4566 | 11.6 | (1,1,-2,2) |
| 63.91 | 1.4566 | 23.1 | (2,-1,-1,2) |
| 64.11 | 1.4525 | 3.5 | (2,0,-2,0) |
| 64.11 | 1.4525 | 1.8 | (2,-2,0,0) |
| 66.28 | 1.4101 | 14.7 | (2,0,-2,1) |
| 66.28 | 1.4101 | 7.3 | (2,-2,0,1) |
| 72.04 | 1.3110 | 3.7 | (1,0,-1,4) |
| 72.04 | 1.3110 | 1.8 | (1,-1,0,4) |
| 72.61 | 1.3021 | 3.9 | (2,0,-2,2) |
| 72.61 | 1.3021 | 2.0 | (2,-2,0,2) |
| 82.71 | 1.1667 | 10.3 | (2,0,-2,3) |
| 82.71 | 1.1667 | 5.1 | (2,-2,0,3) |
| 88.47 | 1.1051 | 4.3 | (1,1,-2,4) |
| 88.47 | 1.1051 | 8.6 | (2,-1,-1,4) |
Energy Properties
Formation Energy/atom
0.55022
eV/atom
Energy/atom
-10.05895
eV/atom
Energy above Hull
0.5502
eV/atom
Uncorrected Energy
-5.1010
eV/atom
Volume/atom
14.32
ų
c/a Ratio
1.7518
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0007
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ge · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.500
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.424
Family
Binary Alloy
Matrix Element
Ge · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1184565
Reference Citation
The crystal structure and related material properties of GeB were obtained from the Materials Project database (MP-ID: mp-1184565, 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
Loading 3D structure…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_GeB
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.35446533
_cell_length_b 3.35446533
_cell_length_c 5.87632300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998681
_symmetry_Int_Tables_number 1
_chemical_formula_structural GeB
_chemical_formula_sum 'Ge2 B2'
_cell_volume 57.26416920
_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 0.66666700 0.33333300 0.86273100 1.0
Ge Ge1 1 0.33333300 0.66666700 0.36273100 1.0
B B2 1 0.66666700 0.33333300 0.51226800 1.0
B B3 1 0.33333300 0.66666700 0.01226800 1.0
