TbFeGe2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1078707 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

TbFeGe2

MP-ID

mp-1078707

Elements

Sites

Density

8.1614

g/cm³

Volume

146.51

Å³

Cell a

8.4208

Cell b

8.4208

Cell c

4.3042

α Angle

90.00

β Angle

90.00

γ Angle

151.31

Space Group

Cmcm

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
10.84	8.1583	1.7	(1,-1,0)
21.79	4.0791	1.6	(2,-2,0)
21.99	4.0424	1.4	(1,0,0)
23.37	3.8069	10.4	(1,-1,1)
26.93	3.3105	4.6	(2,-1,0)
30.19	2.9608	3.4	(2,-2,1)
30.33	2.9466	20.1	(1,0,1)
32.94	2.7194	7.9	(3,-3,0)
34.17	2.6241	100.0	(2,-1,1)
34.90	2.5705	37.6	(3,-2,0)
39.19	2.2990	26.5	(3,-3,1)
40.89	2.2069	3.5	(3,-2,1)
41.98	2.1521	29.3	(0,0,2)
43.37	2.0862	26.7	(1,1,0)
49.45	1.8431	11.6	(4,-4,1)
49.84	1.8295	3.0	(2,0,1)
50.59	1.8043	1.8	(2,-1,2)
53.75	1.7054	1.3	(3,-1,1)
54.36	1.6876	3.9	(3,-3,2)
55.24	1.6628	10.4	(5,-4,0)
55.52	1.6552	3.7	(4,-2,0)
55.70	1.6501	19.2	(3,-2,2)
59.61	1.5511	4.2	(5,-4,1)
59.87	1.5449	15.0	(4,-2,1)

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Energy Properties

Formation Energy/atom

-0.46817

eV/atom

Energy/atom

-6.05666

eV/atom

Energy above Hull

0.0668

eV/atom

Uncorrected Energy

-6.0567

eV/atom

Volume/atom

18.31

Å³

c/a Ratio

0.5111

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

2.0464

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.013970

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ge · 0.500

Element Family

PostTransition-Noble

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

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

2.9835

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

15.615%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3753

smaller = more stable mixing

VEC

6.250

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

4.247

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.384

Family

Ge-rich Multi-Component

Matrix Element

Ge · 0.500

Related Tasks

Related computation task IDs (5)

aaadncdl aaadsmzb aaadxuad aaaeuamv aaafxdiq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1078707

Reference Citation

The crystal structure and related material properties of TbFeGe2 were obtained from the Materials Project database (MP-ID: mp-1078707, 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…

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Raw CIF Data

# generated using pymatgen
data_TbFeGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.42077373
_cell_length_b   8.42077373
_cell_length_c   4.30419400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   151.31158575
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbFeGe2
_chemical_formula_sum   'Tb2 Fe2 Ge4'
_cell_volume   146.51388940
_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  0.89347600  0.10652400  0.25000000  1.0
  Tb  Tb1  1  0.10652400  0.89347600  0.75000000  1.0
  Fe  Fe2  1  0.68426600  0.31573400  0.25000000  1.0
  Fe  Fe3  1  0.31573400  0.68426600  0.75000000  1.0
  Ge  Ge4  1  0.54415600  0.45584400  0.25000000  1.0
  Ge  Ge5  1  0.45584400  0.54415600  0.75000000  1.0
  Ge  Ge6  1  0.25294900  0.74705100  0.25000000  1.0
  Ge  Ge7  1  0.74705100  0.25294900  0.75000000  1.0

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