Basic Information
Formula
Tb2Co3Ge5
MP-ID
mp-1005831
Elements
3
Sites
20
Density
8.7239
g/cm³
Volume
326.57
ų
Cell a
8.0963
Å
Cell b
8.0963
Å
Cell c
5.7336
Å
α Angle
70.29
°
β Angle
70.29
°
γ Angle
93.47
°
Space Group
C2/c
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
mC
Stability
Yes
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 |
|---|---|---|---|
| 18.37 | 4.8306 | 2.4 | (1,1,0) |
| 23.35 | 3.8094 | 13.7 | (1,-1,1) |
| 23.70 | 3.7544 | 10.8 | (2,0,1) |
| 30.32 | 2.9478 | 17.4 | (2,-2,0) |
| 31.21 | 2.8657 | 20.3 | (1,1,2) |
| 33.03 | 2.7116 | 4.0 | (2,-1,-1) |
| 33.54 | 2.6720 | 4.6 | (3,0,1) |
| 35.05 | 2.5600 | 47.8 | (2,0,-1) |
| 35.36 | 2.5382 | 9.9 | (2,-2,1) |
| 35.60 | 2.5217 | 11.1 | (3,-1,1) |
| 35.68 | 2.5163 | 96.8 | (3,-1,0) |
| 35.77 | 2.5103 | 57.6 | (3,1,1) |
| 35.99 | 2.4956 | 69.7 | (0,0,2) |
| 36.06 | 2.4910 | 11.1 | (3,0,0) |
| 36.92 | 2.4347 | 53.1 | (2,2,2) |
| 37.23 | 2.4153 | 23.7 | (2,2,0) |
| 39.33 | 2.2910 | 1.5 | (3,-2,0) |
| 39.83 | 2.2635 | 7.7 | (2,-1,2) |
| 40.26 | 2.2403 | 10.5 | (3,0,2) |
| 40.86 | 2.2087 | 11.1 | (2,1,-1) |
| 41.70 | 2.1661 | 13.0 | (3,2,1) |
| 44.07 | 2.0548 | 100.0 | (3,-1,2) |
| 44.27 | 2.0459 | 4.4 | (3,-1,-1) |
| 44.86 | 2.0203 | 3.9 | (4,0,1) |
Energy Properties
Formation Energy/atom
-0.58274
eV/atom
Energy/atom
-5.96185
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-5.9619
eV/atom
Volume/atom
16.33
ų
c/a Ratio
0.7082
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.9868
μB
Mag. Ordering
FM
Mag. Sites
2
Magnetization/Volume
0.003020
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ge · 0.500
Element Family
PostTransition-Noble
Solute Fraction
0.500
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0297
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.5605
J/mol·K
Ω Parameter
6.0333
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
14.815%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3491
smaller = more stable mixing
VEC
6.500
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
2.074
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9372
SS Former
0
Phase Tendency
IM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1005831
Reference Citation
The crystal structure and related material properties of Tb2Co3Ge5 were obtained from the Materials Project database (MP-ID: mp-1005831, 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_Tb2Co3Ge5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.09625962
_cell_length_b 8.09625962
_cell_length_c 5.73361276
_cell_angle_alpha 70.28801976
_cell_angle_beta 70.28801976
_cell_angle_gamma 93.46900954
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tb2Co3Ge5
_chemical_formula_sum 'Tb4 Co6 Ge10'
_cell_volume 326.57424939
_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
Tb Tb0 1 0.59286600 0.87148900 0.76715800 1.0
Tb Tb1 1 0.12851100 0.40713400 0.73284200 1.0
Tb Tb2 1 0.40713400 0.12851100 0.23284200 1.0
Tb Tb3 1 0.87148900 0.59286600 0.26715800 1.0
Co Co4 1 0.54217500 0.26075500 0.61727500 1.0
Co Co5 1 0.73924500 0.45782500 0.88272500 1.0
Co Co6 1 0.45782500 0.73924500 0.38272500 1.0
Co Co7 1 0.26075500 0.54217500 0.11727500 1.0
Co Co8 1 0.99782300 0.00217700 0.75000000 1.0
Co Co9 1 0.00217700 0.99782300 0.25000000 1.0
Ge Ge10 1 0.49244500 0.50755500 0.75000000 1.0
Ge Ge11 1 0.50755500 0.49244500 0.25000000 1.0
Ge Ge12 1 0.26157500 0.07732200 0.82808800 1.0
Ge Ge13 1 0.92267800 0.73842500 0.67191200 1.0
Ge Ge14 1 0.73842500 0.92267800 0.17191200 1.0
Ge Ge15 1 0.07732200 0.26157500 0.32808800 1.0
Ge Ge16 1 0.78516900 0.21483100 0.75000000 1.0
Ge Ge17 1 0.21483100 0.78516900 0.25000000 1.0
Ge Ge18 1 0.22584400 0.77415600 0.75000000 1.0
Ge Ge19 1 0.77415600 0.22584400 0.25000000 1.0
