Er8BPd24

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3293364 · Space group: Pm-3m (#221)

Materials Project API

Basic Information

Formula

Er8BPd24

MP-ID

mp-3293364

Elements

Sites

Density

11.8896

g/cm³

Volume

545.10

Å³

Cell a

8.1688

Cell b

8.1688

Cell c

8.1688

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pm-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Yes

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 9)

2θ	d (Å)	I	hkl
21.76	4.0844	3.8	(2,0,0)
30.96	2.8881	3.6	(2,2,0)
38.16	2.3581	100.0	(2,2,2)
44.36	2.0422	49.2	(4,0,0)
49.93	1.8266	1.9	(4,2,0)
55.08	1.6675	1.5	(4,2,2)
64.53	1.4441	31.6	(4,4,0)
77.51	1.2315	36.7	(6,2,2)
81.66	1.1791	10.8	(4,4,4)

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Energy Properties

Formation Energy/atom

-0.96660

eV/atom

Energy/atom

-26.11208

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-26.1121

eV/atom

Volume/atom

16.52

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0015

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

Pd · 0.727

Element Family

4d-TM

Solute Fraction

0.273

Interstitial Fraction

0.030

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.6811

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

5.6626

J/mol·K

Ω Parameter

5.8020

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.038%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4096

smaller = more stable mixing

VEC

10.273

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.793

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6200

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.619

Family

Interstitial Alloy

Matrix Element

Pd · 0.727

Related Tasks

Related computation task IDs (1)

aaahfjvw

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293364

Reference Citation

The crystal structure and related material properties of Er8BPd24 were obtained from the Materials Project database (MP-ID: mp-3293364, 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_Er8BPd24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.16881317
_cell_length_b   8.16881317
_cell_length_c   8.16881317
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er8BPd24
_chemical_formula_sum   'Er8 B1 Pd24'
_cell_volume   545.10088966
_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  0.25289442  0.25289442  0.25289442  1.0
  Er  Er1  1  0.74710558  0.74710558  0.74710558  1.0
  Er  Er2  1  0.74710558  0.74710558  0.25289442  1.0
  Er  Er3  1  0.74710558  0.25289442  0.74710558  1.0
  Er  Er4  1  0.25289442  0.25289442  0.74710558  1.0
  Er  Er5  1  0.25289442  0.74710558  0.25289442  1.0
  Er  Er6  1  0.25289442  0.74710558  0.74710558  1.0
  Er  Er7  1  0.74710558  0.25289442  0.25289442  1.0
  B  B8  1  0.00000000  0.00000000  0.00000000  1.0
  Pd  Pd9  1  0.25156088  0.50000000  0.00000000  1.0
  Pd  Pd10  1  0.74843912  0.50000000  0.00000000  1.0
  Pd  Pd11  1  0.00000000  0.25156088  0.50000000  1.0
  Pd  Pd12  1  0.50000000  0.25156088  0.00000000  1.0
  Pd  Pd13  1  0.00000000  0.74843912  0.50000000  1.0
  Pd  Pd14  1  0.50000000  0.74843912  0.00000000  1.0
  Pd  Pd15  1  0.50000000  0.00000000  0.25156088  1.0
  Pd  Pd16  1  0.25156088  0.00000000  0.50000000  1.0
  Pd  Pd17  1  0.50000000  0.00000000  0.74843912  1.0
  Pd  Pd18  1  0.74843912  0.00000000  0.50000000  1.0
  Pd  Pd19  1  0.00000000  0.50000000  0.25156088  1.0
  Pd  Pd20  1  0.00000000  0.50000000  0.74843912  1.0
  Pd  Pd21  1  0.25011269  0.50000000  0.50000000  1.0
  Pd  Pd22  1  0.74988731  0.50000000  0.50000000  1.0
  Pd  Pd23  1  0.50000000  0.25011269  0.50000000  1.0
  Pd  Pd24  1  0.50000000  0.74988731  0.50000000  1.0
  Pd  Pd25  1  0.50000000  0.50000000  0.25011269  1.0
  Pd  Pd26  1  0.50000000  0.50000000  0.74988731  1.0
  Pd  Pd27  1  0.25825668  0.00000000  0.00000000  1.0
  Pd  Pd28  1  0.74174332  0.00000000  0.00000000  1.0
  Pd  Pd29  1  0.00000000  0.25825668  0.00000000  1.0
  Pd  Pd30  1  0.00000000  0.74174332  0.00000000  1.0
  Pd  Pd31  1  0.00000000  0.00000000  0.25825668  1.0
  Pd  Pd32  1  0.00000000  0.00000000  0.74174332  1.0

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