Er3Zn4CdPt4

High-Entropy Materials HEA

MP-ID: mp-3293094 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Er3Zn4CdPt4

MP-ID

mp-3293094

Elements

Sites

Density

12.3741

g/cm³

Volume

222.25

Å³

Cell a

4.1654

Cell b

6.7792

Cell c

7.8769

α Angle

87.69

β Angle

90.00

γ Angle

90.00

Space Group

Point Group

Crystal System

Monoclinic

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
17.62	5.0348	1.7	(0,1,-1)
22.59	3.9353	4.9	(0,0,2)
24.17	3.6816	2.5	(1,0,1)
25.72	3.4638	20.1	(0,1,2)
26.31	3.3868	6.2	(0,2,0)
26.65	3.3447	31.9	(0,1,-2)
27.35	3.2606	32.5	(1,1,1)
27.80	3.2094	18.3	(1,1,-1)
28.26	3.1575	2.8	(0,2,1)
29.12	3.0665	3.3	(0,2,-1)
33.65	2.6633	37.8	(1,1,2)
34.12	2.6278	18.5	(1,2,0)
34.23	2.6197	7.0	(0,2,2)
34.39	2.6080	42.7	(1,1,-2)
35.67	2.5174	5.4	(0,2,-2)
35.68	2.5163	100.0	(1,2,1)
36.22	2.4803	15.3	(0,1,3)
36.38	2.4695	91.0	(1,2,-1)
37.25	2.4139	15.6	(0,1,-3)
40.64	2.2199	49.8	(1,0,3)
41.15	2.1939	7.3	(0,3,1)
42.07	2.1475	10.1	(0,3,-1)
42.42	2.1311	40.4	(1,1,3)
42.74	2.1157	1.3	(0,2,3)

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Energy Properties

Formation Energy/atom

-0.93393

eV/atom

Energy/atom

-31.22348

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-31.2235

eV/atom

Volume/atom

18.52

Å³

c/a Ratio

1.8910

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0002

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

Zn · 0.333

Element Family

3d-TM

Solute Fraction

0.667

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2861

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.6923

J/mol·K

Ω Parameter

1.2936

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.253%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4027

smaller = more stable mixing

VEC

11.333

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-11.665

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9277

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfjlm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293094

Reference Citation

The crystal structure and related material properties of Er3Zn4CdPt4 were obtained from the Materials Project database (MP-ID: mp-3293094, 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_Er3Zn4CdPt4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16538990
_cell_length_b   6.77917734
_cell_length_c   7.87692349
_cell_angle_alpha   87.69171975
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er3Zn4CdPt4
_chemical_formula_sum   'Er3 Zn4 Cd1 Pt4'
_cell_volume   222.24742907
_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
  Er  Er0  1  0.25000000  0.53306352  0.18846998  1.0
  Er  Er1  1  0.75000000  0.96727918  0.66644935  1.0
  Er  Er2  1  0.75000000  0.46274003  0.82044358  1.0
  Zn  Zn3  1  0.25000000  0.64391296  0.55973848  1.0
  Zn  Zn4  1  0.25000000  0.13878462  0.94682068  1.0
  Zn  Zn5  1  0.75000000  0.35763253  0.43866775  1.0
  Zn  Zn6  1  0.75000000  0.86507145  0.05905952  1.0
  Cd  Cd7  1  0.25000000  0.03185328  0.32100550  1.0
  Pt  Pt8  1  0.25000000  0.26031173  0.62626325  1.0
  Pt  Pt9  1  0.25000000  0.76072570  0.87147989  1.0
  Pt  Pt10  1  0.75000000  0.73839034  0.37400285  1.0
  Pt  Pt11  1  0.75000000  0.24023467  0.12759916  1.0

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