Basic Information
Formula
ReGe2
MP-ID
mp-1025067
Elements
2
Sites
6
Density
11.3844
g/cm³
Volume
96.70
ų
Cell a
3.2106
Å
Cell b
4.8021
Å
Cell c
6.9208
Å
α Angle
77.54
°
β Angle
76.59
°
γ Angle
70.47
°
Space Group
C2/m
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
mC
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 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 13.30 | 6.6551 | 32.6 | (0,0,1) |
| 19.84 | 4.4741 | 68.1 | (0,1,0) |
| 22.21 | 4.0030 | 12.7 | (0,1,1) |
| 25.61 | 3.4781 | 32.2 | (0,1,-1) |
| 26.79 | 3.3276 | 7.5 | (0,0,2) |
| 29.99 | 2.9799 | 30.2 | (1,1,1) |
| 30.67 | 2.9151 | 35.5 | (1,1,0) |
| 30.98 | 2.8866 | 10.3 | (0,1,2) |
| 35.07 | 2.5590 | 100.0 | (1,1,2) |
| 35.98 | 2.4959 | 19.0 | (0,1,-2) |
| 36.83 | 2.4405 | 33.6 | (1,0,2) |
| 40.32 | 2.2370 | 7.7 | (0,2,0) |
| 40.56 | 2.2242 | 21.3 | (0,2,1) |
| 40.67 | 2.2184 | 54.7 | (0,0,3) |
| 41.11 | 2.1955 | 20.5 | (1,2,1) |
| 42.66 | 2.1193 | 51.0 | (1,2,0) |
| 42.68 | 2.1187 | 2.3 | (0,1,3) |
| 44.13 | 2.0523 | 64.8 | (1,2,2) |
| 44.18 | 2.0500 | 64.9 | (1,1,3) |
| 44.64 | 2.0300 | 38.4 | (0,2,-1) |
| 45.31 | 2.0015 | 43.3 | (0,2,2) |
| 46.60 | 1.9489 | 30.5 | (1,0,3) |
| 48.42 | 1.8798 | 23.8 | (1,2,-1) |
| 48.42 | 1.8798 | 23.8 | (1,-1,2) |
Energy Properties
Formation Energy/atom
0.01489
eV/atom
Energy/atom
-26.70330
eV/atom
Energy above Hull
0.0149
eV/atom
Uncorrected Energy
-26.7033
eV/atom
Volume/atom
16.12
ų
c/a Ratio
2.1556
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
157.220
GPa
GVRH
96.466
GPa
Young's Modulus E
240.259
GPa
Poisson Ratio ν
0.245
Pugh Ratio K/G
1.630
Vickers Hardness Est.
-
GPa
Ductility
Ductile
Anisotropy
0.601
Lame λ
92.909
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ge · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.693
Family
Binary Alloy
Matrix Element
Ge · 0.667
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1025067
Reference Citation
The crystal structure and related material properties of ReGe2 were obtained from the Materials Project database (MP-ID: mp-1025067, 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_ReGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.21057003
_cell_length_b 4.80208229
_cell_length_c 6.92083096
_cell_angle_alpha 77.53959073
_cell_angle_beta 76.58810676
_cell_angle_gamma 70.47066350
_symmetry_Int_Tables_number 1
_chemical_formula_structural ReGe2
_chemical_formula_sum 'Re2 Ge4'
_cell_volume 96.70202263
_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
Re Re0 1 0.84945895 0.11085332 0.19022978 1.0
Re Re1 1 0.15054105 0.88914668 0.80977022 1.0
Ge Ge2 1 0.85039153 0.75899075 0.54022719 1.0
Ge Ge3 1 0.14960847 0.24100925 0.45977281 1.0
Ge Ge4 1 0.59974487 0.68847936 0.11203091 1.0
Ge Ge5 1 0.40025513 0.31152064 0.88796909 1.0
