Ge3Te
Traditional Materials TRAMP-ID: mp-976053 · Space group: I4/mmm (#139)
Basic Information
Formula
Ge3Te
MP-ID
mp-976053
Elements
2
Sites
4
Density
6.2835
g/cm³
Volume
91.31
ų
Cell a
6.1089
Å
Cell b
6.1089
Å
Cell c
6.1089
Å
α Angle
140.54
°
β Angle
140.54
°
γ Angle
57.03
°
Space Group
I4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tI
Stability
No
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 15)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 16.51 | 5.3679 | 3.1 | (1,1,-1) |
| 23.10 | 3.8501 | 5.6 | (1,0,0) |
| 30.66 | 2.9164 | 1.4 | (0,0,1) |
| 33.14 | 2.7030 | 2.2 | (2,1,-1) |
| 33.39 | 2.6839 | 28.5 | (2,2,-2) |
| 35.02 | 2.5626 | 100.0 | (1,1,0) |
| 43.90 | 2.0622 | 26.4 | (1,-1,1) |
| 50.19 | 1.8179 | 1.4 | (1,0,1) |
| 56.26 | 1.6352 | 25.0 | (3,1,-1) |
| 60.73 | 1.5251 | 19.8 | (3,3,-2) |
| 63.83 | 1.4582 | 8.5 | (0,0,2) |
| 70.13 | 1.3420 | 3.2 | (4,4,-4) |
| 73.98 | 1.2813 | 10.9 | (2,2,0) |
| 74.93 | 1.2674 | 21.1 | (2,0,1) |
| 86.53 | 1.1248 | 7.3 | (5,3,-3) |
Energy Properties
Formation Energy/atom
0.38612
eV/atom
Energy/atom
-16.37217
eV/atom
Energy above Hull
0.4039
eV/atom
Uncorrected Energy
-3.8954
eV/atom
Volume/atom
22.83
ų
c/a Ratio
1.0000
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 · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.441
Family
Binary Alloy
Matrix Element
Ge · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-976053
Reference Citation
The crystal structure and related material properties of Ge3Te were obtained from the Materials Project database (MP-ID: mp-976053, 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_Ge3Te
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.10893907
_cell_length_b 6.10893907
_cell_length_c 6.10893907
_cell_angle_alpha 140.54224246
_cell_angle_beta 140.54224246
_cell_angle_gamma 57.03089898
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ge3Te
_chemical_formula_sum 'Ge3 Te1'
_cell_volume 91.31020188
_cell_formula_units_Z 1
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 0.75000000 0.25000000 0.50000000 1.0
Ge Ge1 1 0.25000000 0.75000000 0.50000000 1.0
Ge Ge2 1 0.50000000 0.50000000 0.00000000 1.0
Te Te3 1 0.00000000 0.00000000 0.00000000 1.0
