Cs(AlGe)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3200663 · Space group: I4/mmm (#139)

Materials Project API

Basic Information

Formula

Cs(AlGe)2

MP-ID

mp-3200663

Elements

Sites

Density

4.0880

g/cm³

Volume

134.92

Å³

Cell a

8.8151

Cell b

8.8151

Cell c

8.8151

α Angle

153.63

β Angle

153.63

γ Angle

37.63

Space Group

I4/mmm

Point Group

4/mmm

Crystal System

Tetragonal

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
10.60	8.3440	3.1	(1,1,-1)
21.30	4.1720	5.1	(2,2,-2)
22.75	3.9092	1.8	(0,1,-1)
22.75	3.9092	5.4	(1,0,0)
27.37	3.2588	50.0	(1,2,-2)
27.37	3.2588	100.0	(2,1,-2)
27.37	3.2588	50.0	(1,2,-1)
31.46	2.8434	47.5	(0,0,1)
32.18	2.7813	17.1	(3,3,-3)
33.29	2.6914	7.5	(1,1,-2)
33.29	2.6914	22.5	(2,0,-1)
34.94	2.5682	5.8	(2,3,-3)
34.94	2.5682	11.7	(3,2,-3)
34.94	2.5682	5.8	(2,3,-2)
38.31	2.3496	1.2	(3,1,-2)
43.38	2.0860	10.0	(4,4,-4)
45.09	2.0106	18.9	(1,-1,1)
45.09	2.0106	18.9	(1,-1,-1)
45.63	1.9883	15.3	(3,3,-4)
45.63	1.9883	45.8	(4,2,-3)
53.56	1.7111	7.6	(1,2,-3)
53.56	1.7111	15.1	(2,1,-3)
53.56	1.7111	22.7	(2,1,0)
53.56	1.7111	15.1	(1,2,0)

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Energy Properties

Formation Energy/atom

-0.18242

eV/atom

Energy/atom

-13.44574

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-13.4457

eV/atom

Volume/atom

26.98

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Al · 0.400

Element Family

PostTransition-Noble

Solute Fraction

0.600

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0549

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.7706

J/mol·K

Ω Parameter

2.0974

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

32.060%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4455

smaller = more stable mixing

VEC

3.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.840

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9602

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.606

Family

Al-rich Multi-Component

Matrix Element

Al · 0.400

Related Tasks

Related computation task IDs (1)

aaahacsl

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3200663

Reference Citation

The crystal structure and related material properties of Cs(AlGe)2 were obtained from the Materials Project database (MP-ID: mp-3200663, 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_Cs(AlGe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.81513214
_cell_length_b   8.81513185
_cell_length_c   8.81513325
_cell_angle_alpha   153.63185097
_cell_angle_beta   153.63184368
_cell_angle_gamma   37.63492911
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cs(AlGe)2
_chemical_formula_sum   'Cs1 Al2 Ge2'
_cell_volume   134.91679437
_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
  Cs  Cs0  1  0.00000000  0.00000000  0.00000000  1.0
  Al  Al1  1  0.75000000  0.25000000  0.50000000  1.0
  Al  Al2  1  0.25000000  0.75000000  0.50000000  1.0
  Ge  Ge3  1  0.65003751  0.65003751  0.00000000  1.0
  Ge  Ge4  1  0.34996249  0.34996249  1.00000000  1.0

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