Basic Information
Formula
TbGe2Pd
MP-ID
mp-31436
Elements
3
Sites
16
Density
8.8258
g/cm³
Volume
309.03
ų
Cell a
9.5420
Å
Cell b
9.5441
Å
Cell c
9.5418
Å
α Angle
153.87
°
β Angle
125.59
°
γ Angle
61.33
°
Space Group
Immm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oI
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 |
|---|---|---|---|
| 10.78 | 8.2086 | 16.1 | (1,1,-1) |
| 11.49 | 7.7045 | 2.3 | (0,1,-1) |
| 11.49 | 7.7043 | 2.2 | (1,0,0) |
| 19.14 | 4.6360 | 1.8 | (1,2,-2) |
| 19.14 | 4.6359 | 1.8 | (2,1,-1) |
| 20.36 | 4.3624 | 11.9 | (1,-1,1) |
| 22.99 | 3.8681 | 4.3 | (1,-1,0) |
| 23.00 | 3.8675 | 4.3 | (0,0,1) |
| 23.09 | 3.8522 | 6.1 | (0,2,-2) |
| 23.09 | 3.8522 | 6.1 | (2,0,0) |
| 25.45 | 3.4997 | 1.3 | (0,2,-1) |
| 25.45 | 3.4992 | 1.3 | (1,1,0) |
| 25.46 | 3.4984 | 1.3 | (2,0,-1) |
| 25.46 | 3.4980 | 1.3 | (1,1,-2) |
| 26.30 | 3.3892 | 3.7 | (1,2,-1) |
| 26.31 | 3.3875 | 3.5 | (2,1,-2) |
| 29.06 | 3.0731 | 2.3 | (2,3,-3) |
| 29.06 | 3.0730 | 2.2 | (3,2,-2) |
| 29.62 | 3.0161 | 6.1 | (1,-2,1) |
| 29.62 | 3.0157 | 6.2 | (2,-1,0) |
| 29.62 | 3.0155 | 6.1 | (1,0,1) |
| 29.63 | 3.0151 | 6.1 | (0,1,-2) |
| 31.23 | 2.8637 | 1.6 | (1,-2,2) |
| 31.23 | 2.8637 | 1.6 | (2,-1,1) |
Energy Properties
Formation Energy/atom
-0.77310
eV/atom
Energy/atom
-5.53905
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-21.2990
eV/atom
Volume/atom
19.31
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
0.0000
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
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
1.0397
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.6442
J/mol·K
Ω Parameter
1.9041
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
14.599%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4285
smaller = more stable mixing
VEC
6.750
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-6.673
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9464
SS Former
0
Phase Tendency
IM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-31436
Reference Citation
The crystal structure and related material properties of TbGe2Pd were obtained from the Materials Project database (MP-ID: mp-31436, 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_TbGe2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.54199011
_cell_length_b 9.54411462
_cell_length_c 9.54178103
_cell_angle_alpha 153.86700032
_cell_angle_beta 125.58876923
_cell_angle_gamma 61.33026584
_symmetry_Int_Tables_number 1
_chemical_formula_structural TbGe2Pd
_chemical_formula_sum 'Tb4 Ge8 Pd4'
_cell_volume 309.03122251
_cell_formula_units_Z 4
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 0.74141333 0.49988993 0.24119533 1.0
Tb Tb1 1 0.25858681 0.50010960 0.75880501 1.0
Tb Tb2 1 0.70129787 0.70139069 0.00038074 1.0
Tb Tb3 1 0.29870330 0.29860917 0.99962041 1.0
Ge Ge4 1 0.34828319 0.69862447 0.64956789 1.0
Ge Ge5 1 0.65171763 0.30137556 0.35043144 1.0
Ge Ge6 1 0.95115929 0.30135753 0.65003125 1.0
Ge Ge7 1 0.04884020 0.69864155 0.34996863 1.0
Ge Ge8 1 0.57376596 0.07540998 0.50149331 1.0
Ge Ge9 1 0.92623075 0.92643855 0.99985104 1.0
Ge Ge10 1 0.07376836 0.07356142 0.00014814 1.0
Ge Ge11 1 0.42623618 0.92458985 0.49850892 1.0
Pd Pd12 1 0.60341992 0.85187034 0.75136011 1.0
Pd Pd13 1 0.89938246 0.14754309 0.75122712 1.0
Pd Pd14 1 0.39658131 0.14812941 0.24863947 1.0
Pd Pd15 1 0.10061544 0.85245786 0.24877020 1.0
