Er12Co4RhPb

High-Entropy Materials HEA

MP-ID: mp-3294751 · Space group: Immm (#71)

Materials Project API

Basic Information

Formula

Er12Co4RhPb

MP-ID

mp-3294751

Elements

Sites

Density

10.0093

g/cm³

Volume

423.53

Å³

Cell a

8.1976

Cell b

8.1976

Cell c

8.1976

α Angle

110.99

β Angle

110.30

γ Angle

107.14

Space Group

Immm

Point Group

mmm

Crystal System

Orthorhombic

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
19.11	4.6436	1.1	(1,-1,-1)
22.70	3.9167	1.3	(1,1,-2)
23.15	3.8428	1.7	(2,-1,0)
26.53	3.3600	5.4	(2,0,-2)
29.12	3.0665	8.5	(1,2,-2)
29.15	3.0636	20.7	(2,1,-2)
30.05	2.9736	30.8	(1,-2,2)
30.19	2.9599	4.4	(1,-1,2)
30.30	2.9502	3.9	(2,-1,-2)
30.41	2.9394	19.0	(1,-1,-2)
30.41	2.9394	19.0	(2,-2,-1)
32.80	2.7302	33.3	(1,1,-3)
32.80	2.7302	100.0	(3,-1,-1)
35.00	2.5639	2.0	(3,0,-1)
35.07	2.5589	14.1	(2,1,-3)
35.07	2.5589	42.4	(3,0,-2)
35.49	2.5291	61.1	(0,2,-3)
35.68	2.5162	1.4	(2,0,-3)
35.86	2.5041	19.7	(0,1,-3)
35.98	2.4963	15.7	(1,0,-3)
35.98	2.4963	15.7	(3,-2,-1)
36.93	2.4340	17.6	(2,2,-2)
38.44	2.3421	10.7	(2,-2,2)
38.79	2.3218	25.1	(2,-2,-2)

Get direct link

Energy Properties

Formation Energy/atom

-0.34489

eV/atom

Energy/atom

-30.37064

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-30.3706

eV/atom

Volume/atom

23.53

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.8765

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.002070

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Er · 0.667

Element Family

Lanthanide

Solute Fraction

0.333

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9257

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.6963

J/mol·K

Ω Parameter

18.8627

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.410%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3863

smaller = more stable mixing

VEC

10.722

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.715

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6678

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahflxf

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294751

Reference Citation

The crystal structure and related material properties of Er12Co4RhPb were obtained from the Materials Project database (MP-ID: mp-3294751, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Er12Co4RhPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.19761210
_cell_length_b   8.19761147
_cell_length_c   8.19761302
_cell_angle_alpha   110.99377568
_cell_angle_beta   110.30280733
_cell_angle_gamma   107.14266041
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er12Co4RhPb
_chemical_formula_sum   'Er12 Co4 Rh1 Pb1'
_cell_volume   423.53384780
_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  0.31288387  0.61778810  0.30490323  1.0
  Er  Er1  1  0.68711613  0.38221290  0.69509677  1.0
  Er  Er2  1  0.31288387  0.00798164  0.69509677  1.0
  Er  Er3  1  0.68711613  0.99201836  0.30490323  1.0
  Er  Er4  1  0.40677684  0.20955824  0.19721860  1.0
  Er  Er5  1  0.59322316  0.79044176  0.80278140  1.0
  Er  Er6  1  0.01234064  0.20955824  0.80278140  1.0
  Er  Er7  1  0.98765936  0.79044176  0.19721860  1.0
  Er  Er8  1  0.18485123  0.29094433  0.47579556  1.0
  Er  Er9  1  0.81514877  0.70905567  0.52420444  1.0
  Er  Er10  1  0.18485123  0.70905567  0.89390690  1.0
  Er  Er11  1  0.81514877  0.29094433  0.10609310  1.0
  Co  Co12  1  0.11088892  0.61088892  0.50000000  1.0
  Co  Co13  1  0.88911208  0.38911208  0.50000000  1.0
  Co  Co14  1  0.38139597  1.00000000  0.38139597  1.0
  Co  Co15  1  0.61860403  0.00000000  0.61860403  1.0
  Rh  Rh16  1  0.00000000  0.00000000  0.00000000  1.0
  Pb  Pb17  1  0.50000000  0.50000000  0.00000000  1.0

Get direct link