CrCd3Te4

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1079533 · Space group: P-43m (#215)

Materials Project API

Basic Information

Formula

CrCd3Te4

MP-ID

mp-1079533

Elements

Sites

Density

5.3458

g/cm³

Volume

279.45

Å³

Cell a

6.5378

Cell b

6.5378

Cell c

6.5378

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P-43m

Point Group

-43m

Crystal System

Cubic

Bravais Lattice

Stability

Packing Fraction

0.5236

X-ray Diffraction

Diffraction Pattern

Target / Radiation

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

Diffraction Peaks (Top 19)

2θ	d (Å)	I	hkl
19.20	4.6230	2.0	(1,1,0)
23.57	3.7746	100.0	(1,1,1)
27.28	3.2689	1.1	(2,0,0)
30.58	2.9238	3.2	(2,1,0)
33.58	2.6691	2.3	(2,1,1)
38.96	2.3115	77.7	(2,2,0)
41.43	2.1793	1.1	(2,2,1)
46.04	1.9712	47.9	(3,1,1)
52.36	1.7473	1.1	(3,2,1)
56.29	1.6345	12.7	(4,0,0)
58.18	1.5857	1.5	(4,1,0)
60.04	1.5410	1.1	(4,1,1)
61.86	1.4999	19.0	(3,3,1)
70.57	1.3345	24.8	(4,2,2)
73.92	1.2822	1.2	(4,3,1)
75.57	1.2582	13.6	(5,1,1)
78.84	1.2141	1.2	(4,3,2)
83.68	1.1557	7.7	(4,4,0)
88.47	1.1051	13.7	(5,3,1)

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Energy Properties

Formation Energy/atom

-0.28990

eV/atom

Energy/atom

-3.42819

eV/atom

Energy above Hull

0.2951

eV/atom

Uncorrected Energy

-3.2172

eV/atom

Volume/atom

34.93

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

Te · 0.500

Element Family

Metalloid-Nonmetal

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9743

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.1005

J/mol·K

Ω Parameter

2.2347

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

5.269%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2090

smaller = more stable mixing

VEC

7.250

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

3.105

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8869

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.274

Family

Te-rich Multi-Component

Matrix Element

Te · 0.500

Related Tasks

Related computation task IDs (2)

aaaduome aaadwvgj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1079533

Reference Citation

The crystal structure and related material properties of CrCd3Te4 were obtained from the Materials Project database (MP-ID: mp-1079533, 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_CrCd3Te4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53784100
_cell_length_b   6.53784100
_cell_length_c   6.53784100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCd3Te4
_chemical_formula_sum   'Cr1 Cd3 Te4'
_cell_volume   279.44932379
_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
  Cr  Cr0  1  0.00000000  0.00000000  0.00000000  1.0
  Cd  Cd1  1  0.50000000  0.50000000  0.00000000  1.0
  Cd  Cd2  1  0.50000000  0.00000000  0.50000000  1.0
  Cd  Cd3  1  0.00000000  0.50000000  0.50000000  1.0
  Te  Te4  1  0.75981800  0.75981800  0.24018200  1.0
  Te  Te5  1  0.75981800  0.24018200  0.75981800  1.0
  Te  Te6  1  0.24018200  0.75981800  0.75981800  1.0
  Te  Te7  1  0.24018200  0.24018200  0.24018200  1.0

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