Eu(CrAs)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1068248 · Space group: I4/mmm (#139)

Materials Project API

Basic Information

Formula

Eu(CrAs)2

MP-ID

mp-1068248

Elements

Sites

Density

6.9519

g/cm³

Volume

96.93

Å³

Cell a

6.6057

Cell b

6.6057

Cell c

6.6057

α Angle

144.45

β Angle

144.45

γ Angle

51.16

Space Group

I4/mmm

Point Group

4/mmm

Crystal System

Tetragonal

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
23.28	3.8205	6.3	(1,0,-1)
29.99	2.9791	4.5	(2,2,-2)
31.36	2.8520	25.8	(1,-1,0)
31.61	2.8301	100.0	(2,1,-2)
34.88	2.5725	58.0	(2,0,-1)
43.95	2.0602	5.4	(3,1,-2)
44.14	2.0519	26.0	(3,2,-3)
44.95	2.0167	40.8	(1,-1,1)
45.68	1.9861	1.2	(3,3,-3)
51.22	1.7835	1.7	(2,-1,-1)
54.98	1.6700	2.9	(3,1,-3)
55.99	1.6424	38.9	(3,0,-2)
56.46	1.6298	22.9	(4,2,-3)
62.34	1.4896	6.8	(4,4,-4)
64.82	1.4383	16.4	(4,1,-3)
65.45	1.4260	12.8	(2,-2,0)
66.02	1.4151	1.8	(4,2,-4)
71.45	1.3203	4.5	(5,3,-4)
73.65	1.2863	1.1	(4,0,-2)
74.37	1.2755	4.8	(2,-2,1)
74.51	1.2735	8.4	(3,0,-3)
75.59	1.2580	1.3	(5,4,-5)
76.36	1.2472	10.8	(3,-1,-2)
80.09	1.1982	13.2	(5,3,-5)

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Energy Properties

Formation Energy/atom

-0.45367

eV/atom

Energy/atom

-8.24056

eV/atom

Energy above Hull

0.0781

eV/atom

Uncorrected Energy

-8.2406

eV/atom

Volume/atom

19.39

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

11.5316

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.118970

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Cr · 0.400

Element Family

3d-TM

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

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

19.416%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3702

smaller = more stable mixing

VEC

5.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9602

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.501

Family

Cr-rich Multi-Component

Matrix Element

Cr · 0.400

Related Tasks

Related computation task IDs (5)

aaacivhf aaacwaao aaaeutll aaafaudr aaafscnm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1068248

Reference Citation

The crystal structure and related material properties of Eu(CrAs)2 were obtained from the Materials Project database (MP-ID: mp-1068248, 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_Eu(CrAs)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.60564900
_cell_length_b   6.60564900
_cell_length_c   6.60564900
_cell_angle_alpha   144.44769390
_cell_angle_beta   144.44769390
_cell_angle_gamma   51.15835549
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Eu(CrAs)2
_chemical_formula_sum   'Eu1 Cr2 As2'
_cell_volume   96.93010849
_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
  Eu  Eu0  1  0.00000000  0.00000000  0.00000000  1.0
  Cr  Cr1  1  0.75000000  0.25000000  0.50000000  1.0
  Cr  Cr2  1  0.25000000  0.75000000  0.50000000  1.0
  As  As3  1  0.63423500  0.63423500  0.00000000  1.0
  As  As4  1  0.36576500  0.36576500  0.00000000  1.0

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