Re3Ge
Traditional Materials TRAMP-ID: mp-974445 · Space group: I4/mmm (#139)
Basic Information
Formula
Re3Ge
MP-ID
mp-974445
Elements
2
Sites
4
Density
17.4821
g/cm³
Volume
59.96
ų
Cell a
4.9397
Å
Cell b
4.9397
Å
Cell c
4.9397
Å
α Angle
134.70
°
β Angle
134.70
°
γ Angle
65.99
°
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 16)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 21.45 | 4.1429 | 3.6 | (1,1,-1) |
| 25.77 | 3.4573 | 9.3 | (1,0,-1) |
| 33.31 | 2.6901 | 2.4 | (1,-1,0) |
| 39.96 | 2.2562 | 100.0 | (2,0,-1) |
| 40.35 | 2.2350 | 2.9 | (2,1,-2) |
| 43.70 | 2.0715 | 19.5 | (2,2,-2) |
| 47.82 | 1.9022 | 30.1 | (1,-1,1) |
| 52.97 | 1.7287 | 1.4 | (2,0,-2) |
| 55.11 | 1.6666 | 2.4 | (2,-1,-1) |
| 56.03 | 1.6412 | 1.2 | (3,1,-2) |
| 64.31 | 1.4486 | 1.6 | (3,0,-2) |
| 66.77 | 1.4011 | 22.3 | (3,1,-3) |
| 69.94 | 1.3450 | 9.7 | (2,-2,0) |
| 77.73 | 1.2285 | 14.5 | (3,3,-4) |
| 83.72 | 1.1553 | 24.3 | (3,-1,-2) |
| 86.22 | 1.1281 | 11.4 | (4,0,-2) |
Energy Properties
Formation Energy/atom
0.38408
eV/atom
Energy/atom
-42.39188
eV/atom
Energy above Hull
0.3841
eV/atom
Uncorrected Energy
-10.1089
eV/atom
Volume/atom
14.99
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
0.0137
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000230
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Re · 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
0.521
Family
Binary Alloy
Matrix Element
Re · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-974445
Reference Citation
The crystal structure and related material properties of Re3Ge were obtained from the Materials Project database (MP-ID: mp-974445, 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_Re3Ge
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.93965032
_cell_length_b 4.93965032
_cell_length_c 4.93965032
_cell_angle_alpha 134.70229841
_cell_angle_beta 134.70229841
_cell_angle_gamma 65.99311409
_symmetry_Int_Tables_number 1
_chemical_formula_structural Re3Ge
_chemical_formula_sum 'Re3 Ge1'
_cell_volume 59.96034401
_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
Re Re0 1 0.75000000 0.25000000 0.50000000 1.0
Re Re1 1 0.25000000 0.75000000 0.50000000 1.0
Re Re2 1 0.50000000 0.50000000 0.00000000 1.0
Ge Ge3 1 0.00000000 0.00000000 0.00000000 1.0
