Er10Cd3Pd

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3295097 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

Er10Cd3Pd

MP-ID

mp-3295097

Elements

Sites

Density

9.1993

g/cm³

Volume

763.99

Å³

Cell a

9.5769

Cell b

9.5769

Cell c

9.6185

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mmc

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

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
14.10	6.2812	1.6	(1,0,-1,1)
21.36	4.1604	3.2	(1,0,-1,2)
28.42	3.1406	13.3	(2,0,-2,2)
28.47	3.1348	19.3	(3,-1,-2,0)
29.88	2.9905	26.3	(1,0,-1,3)
29.98	2.9805	5.9	(3,-1,-2,1)
32.38	2.7646	13.2	(3,0,-3,0)
33.73	2.6570	21.5	(3,0,-3,1)
33.73	2.6570	42.9	(3,-3,0,1)
34.14	2.6262	100.0	(3,-1,-2,2)
35.39	2.5365	39.4	(2,0,-2,3)
37.40	2.4046	12.1	(0,0,0,4)
37.57	2.3942	15.4	(4,-2,-2,0)
40.23	2.2414	2.5	(3,-1,-2,3)
40.23	2.2414	2.5	(2,-3,1,3)
40.31	2.2372	1.2	(4,-1,-3,1)
42.05	2.1489	1.2	(2,-1,-1,4)
43.51	2.0802	4.1	(2,0,-2,4)
47.77	1.9040	1.3	(4,0,-4,2)
47.77	1.9040	2.5	(4,-4,0,2)
47.80	1.9027	1.2	(5,-2,-3,0)
48.58	1.8740	2.7	(1,0,-1,5)
48.72	1.8690	4.9	(4,-1,-3,3)
50.42	1.8099	1.7	(5,-1,-4,0)

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Energy Properties

Formation Energy/atom

-0.33497

eV/atom

Energy/atom

-30.51567

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-30.5157

eV/atom

Volume/atom

27.29

Å³

c/a Ratio

1.0043

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0012

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

Er · 0.714

Element Family

Lanthanide

Solute Fraction

0.286

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.7589

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.3098

J/mol·K

Ω Parameter

8.2591

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.681%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2864

smaller = more stable mixing

VEC

11.857

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.180

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6908

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.609

Family

Er-rich Multi-Component

Matrix Element

Er · 0.714

Related Tasks

Related computation task IDs (1)

aaahfmkn

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295097

Reference Citation

The crystal structure and related material properties of Er10Cd3Pd were obtained from the Materials Project database (MP-ID: mp-3295097, 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_Er10Cd3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.57693564
_cell_length_b   9.57693495
_cell_length_c   9.61845538
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999891
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er10Cd3Pd
_chemical_formula_sum   'Er20 Cd6 Pd2'
_cell_volume   763.99246878
_cell_formula_units_Z   2
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  0.20808867  0.79191133  0.94120469  1.0
  Er  Er1  1  0.20808867  0.41617833  0.94120469  1.0
  Er  Er2  1  0.58382167  0.79191133  0.94120469  1.0
  Er  Er3  1  0.79191133  0.20808867  0.05879531  1.0
  Er  Er4  1  0.79191133  0.58382167  0.05879531  1.0
  Er  Er5  1  0.41617833  0.20808867  0.05879531  1.0
  Er  Er6  1  0.79191133  0.20808867  0.44120469  1.0
  Er  Er7  1  0.79191133  0.58382167  0.44120469  1.0
  Er  Er8  1  0.41617833  0.20808867  0.44120469  1.0
  Er  Er9  1  0.20808867  0.79191133  0.55879531  1.0
  Er  Er10  1  0.20808867  0.41617833  0.55879531  1.0
  Er  Er11  1  0.58382167  0.79191133  0.55879531  1.0
  Er  Er12  1  0.54289231  0.45710769  0.75000000  1.0
  Er  Er13  1  0.54289231  0.08578361  0.75000000  1.0
  Er  Er14  1  0.91421639  0.45710769  0.75000000  1.0
  Er  Er15  1  0.45710769  0.54289231  0.25000000  1.0
  Er  Er16  1  0.45710769  0.91421639  0.25000000  1.0
  Er  Er17  1  0.08578361  0.54289231  0.25000000  1.0
  Er  Er18  1  0.00000000  0.00000000  0.00000000  1.0
  Er  Er19  1  0.00000000  0.00000000  0.50000000  1.0
  Cd  Cd20  1  0.88477064  0.11522936  0.75000000  1.0
  Cd  Cd21  1  0.88477064  0.76954128  0.75000000  1.0
  Cd  Cd22  1  0.23045872  0.11522936  0.75000000  1.0
  Cd  Cd23  1  0.11522936  0.88477064  0.25000000  1.0
  Cd  Cd24  1  0.11522936  0.23045872  0.25000000  1.0
  Cd  Cd25  1  0.76954128  0.88477064  0.25000000  1.0
  Pd  Pd26  1  0.33333300  0.66666700  0.75000000  1.0
  Pd  Pd27  1  0.66666700  0.33333300  0.25000000  1.0

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