Cs2(AlAg)5

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3203552 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Cs2(AlAg)5

MP-ID

mp-3203552

Elements

Sites

Density

5.4954

g/cm³

Volume

284.05

Å³

Cell a

7.3575

Cell b

7.3575

Cell c

5.5038

α Angle

90.00

β Angle

90.00

γ Angle

107.56

Space Group

Amm2

Point Group

mm2

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
14.93	5.9355	5.6	(1,-1,0)
16.10	5.5038	4.0	(0,0,1)
20.43	4.3476	22.3	(1,1,0)
20.51	4.3301	10.6	(1,0,1)
22.02	4.0358	2.3	(1,-1,1)
24.72	3.6016	6.8	(2,-1,0)
25.39	3.5074	57.0	(2,0,0)
26.12	3.4116	25.3	(1,1,1)
29.64	3.0137	100.0	(2,-1,1)
30.11	2.9678	59.8	(2,-2,0)
30.22	2.9578	95.6	(2,0,1)
31.78	2.8157	30.3	(2,1,0)
32.54	2.7519	55.9	(0,0,2)
34.33	2.6122	4.3	(2,-2,1)
35.03	2.5618	2.2	(1,0,2)
35.82	2.5067	4.6	(2,1,1)
36.66	2.4511	2.6	(1,-3,0)
36.66	2.4511	2.6	(3,-1,0)
38.50	2.3383	2.5	(3,0,0)
38.73	2.3252	28.9	(1,1,2)
40.28	2.2391	16.7	(3,-1,1)
41.29	2.1867	1.6	(1,-2,2)
41.29	2.1867	1.6	(2,-1,2)
41.54	2.1738	7.5	(2,2,0)

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Energy Properties

Formation Energy/atom

-0.07121

eV/atom

Energy/atom

-15.95928

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-15.9593

eV/atom

Volume/atom

23.67

Å³

c/a Ratio

0.7481

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 · 0.417

Element Family

PostTransition-Noble

Solute Fraction

0.583

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0282

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.5483

J/mol·K

Ω Parameter

0.9784

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

26.651%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3933

smaller = more stable mixing

VEC

6.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-8.333

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9359

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.625

Family

Al-rich Multi-Component

Matrix Element

Al · 0.417

Related Tasks

Related computation task IDs (1)

aaahagzo

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3203552

Reference Citation

The crystal structure and related material properties of Cs2(AlAg)5 were obtained from the Materials Project database (MP-ID: mp-3203552, 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_Cs2(AlAg)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.35746138
_cell_length_b   7.35746222
_cell_length_c   5.50378846
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   107.55647971
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cs2(AlAg)5
_chemical_formula_sum   'Cs2 Al5 Ag5'
_cell_volume   284.05474813
_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  0.87081601  0.87081601  0.00000000  1.0
  Cs  Cs1  1  0.14957604  0.14957604  0.50000000  1.0
  Al  Al2  1  0.29923438  0.68494928  0.24989087  1.0
  Al  Al3  1  0.29923438  0.68494928  0.75010913  1.0
  Al  Al4  1  0.68494928  0.29923438  0.24989087  1.0
  Al  Al5  1  0.68494928  0.29923438  0.75010913  1.0
  Al  Al6  1  0.57305947  0.57305947  0.50000000  1.0
  Ag  Ag7  1  0.45069364  0.00555634  0.00000000  1.0
  Ag  Ag8  1  0.96886699  0.55609839  0.50000000  1.0
  Ag  Ag9  1  0.55609839  0.96886699  0.50000000  1.0
  Ag  Ag10  1  0.00555634  0.45069364  0.00000000  1.0
  Ag  Ag11  1  0.45696482  0.45696482  0.00000000  1.0

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