Ce(Tc2Ge)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3249587 · Space group: Cmmm (#65)

Materials Project API

Basic Information

Formula

Ce(Tc2Ge)2

MP-ID

mp-3249587

Elements

Sites

Density

9.3080

g/cm³

Volume

120.85

Å³

Cell a

7.3458

Cell b

7.3458

Cell c

4.1143

α Angle

90.00

β Angle

90.00

γ Angle

147.02

Space Group

Cmmm

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

Yes

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
12.57	7.0437	40.7	(1,-1,0)
25.07	3.5527	5.3	(1,-1,1)
25.29	3.5218	11.4	(2,-2,0)
28.63	3.1180	18.6	(2,-1,0)
31.19	2.8674	12.6	(0,1,1)
31.19	2.8674	12.6	(1,0,1)
33.49	2.6755	37.8	(2,-2,1)
36.15	2.4850	100.0	(1,-2,1)
36.15	2.4850	100.0	(2,-1,1)
38.34	2.3479	5.2	(3,-3,0)
38.56	2.3346	15.2	(2,-3,0)
38.56	2.3345	15.2	(3,-2,0)
43.40	2.0850	66.8	(1,1,0)
44.02	2.0572	64.1	(0,0,2)
44.43	2.0392	16.9	(3,-3,1)
44.63	2.0305	41.4	(2,-3,1)
44.63	2.0305	41.4	(3,-2,1)
45.36	1.9993	1.5	(0,2,0)
45.36	1.9993	1.5	(2,0,0)
45.96	1.9747	2.8	(1,-1,2)
50.35	1.8124	6.8	(3,-4,0)
50.35	1.8124	6.8	(4,-3,0)
50.77	1.7982	1.6	(2,0,1)
50.90	1.7942	1.7	(1,-3,0)

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Energy Properties

Formation Energy/atom

-0.44882

eV/atom

Energy/atom

-23.65500

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-23.6550

eV/atom

Volume/atom

17.26

Å³

c/a Ratio

0.5601

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0027

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000020

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tc · 0.571

Element Family

4d-TM

Solute Fraction

0.429

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9557

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.9457

J/mol·K

Ω Parameter

2.2510

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.760%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2898

smaller = more stable mixing

VEC

4.429

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-6.662

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8699

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.562

Family

Tc-rich Multi-Component

Matrix Element

Tc · 0.571

Related Tasks

Related computation task IDs (1)

aaahcxcd

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3249587

Reference Citation

The crystal structure and related material properties of Ce(Tc2Ge)2 were obtained from the Materials Project database (MP-ID: mp-3249587, 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_Ce(Tc2Ge)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.34576723
_cell_length_b   7.34576809
_cell_length_c   4.11433399
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   147.02133982
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce(Tc2Ge)2
_chemical_formula_sum   'Ce1 Tc4 Ge2'
_cell_volume   120.84634078
_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
  Ce  Ce0  1  0.00000000  0.00000000  0.00000000  1.0
  Tc  Tc1  1  0.69905814  0.30094286  0.00000000  1.0
  Tc  Tc2  1  0.30094286  0.69905814  0.00000000  1.0
  Tc  Tc3  1  0.80565312  0.19434688  0.50000100  1.0
  Tc  Tc4  1  0.19434688  0.80565312  0.50000100  1.0
  Ge  Ge5  1  0.58919088  0.41080912  0.50000100  1.0
  Ge  Ge6  1  0.41080912  0.58919088  0.50000100  1.0

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