Er5BiPt2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-31462 · Space group: I4/mcm (#140)

Materials Project API

Basic Information

Formula

Er5BiPt2

MP-ID

mp-31462

Elements

Sites

Density

11.7898

g/cm³

Volume

404.35

Å³

Cell a

7.7085

Cell b

7.7085

Cell c

8.7190

α Angle

116.24

β Angle

116.24

γ Angle

89.99

Space Group

I4/mcm

Point Group

4/mmm

Crystal System

Tetragonal

Bravais Lattice

Stability

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
13.01	6.8049	56.7	(0,0,1)
20.88	4.2545	8.3	(1,1,0)
20.88	4.2544	8.3	(1,1,-2)
20.88	4.2540	8.2	(1,-1,1)
20.88	4.2540	8.2	(1,-1,-1)
26.19	3.4024	2.3	(0,0,2)
26.58	3.3537	1.0	(2,0,0)
26.58	3.3537	1.0	(0,2,0)
26.58	3.3537	1.0	(2,0,-2)
26.58	3.3537	1.0	(0,2,-2)
30.98	2.8864	19.6	(1,1,1)
30.98	2.8863	19.6	(1,1,-3)
30.98	2.8862	19.6	(1,-1,2)
30.98	2.8862	19.6	(1,-1,-2)
32.62	2.7449	50.0	(2,1,0)
32.62	2.7449	50.0	(1,2,0)
32.62	2.7449	100.0	(2,1,-3)
32.63	2.7447	50.0	(2,-1,1)
32.63	2.7447	50.0	(1,-2,-1)
32.63	2.7447	50.0	(1,-2,2)
32.63	2.7447	50.0	(2,-1,-2)
32.86	2.7256	21.8	(2,2,-2)
32.87	2.7251	21.8	(2,-2,0)
35.18	2.5508	23.2	(2,0,1)

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Energy Properties

Formation Energy/atom

-1.04874

eV/atom

Energy/atom

-42.43685

eV/atom

Energy above Hull

0.0136

eV/atom

Uncorrected Energy

-42.4369

eV/atom

Volume/atom

25.27

Å³

c/a Ratio

1.1311

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

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 · 0.625

Element Family

Lanthanide

Solute Fraction

0.375

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9003

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.4847

J/mol·K

Ω Parameter

20.0460

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.318%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4676

smaller = more stable mixing

VEC

10.625

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.636

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8194

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.591

Family

Er-rich Multi-Component

Matrix Element

Er · 0.625

Related Tasks

Related computation task IDs (5)

aaadnosh aaadqzsz aaaeloyi aaaetpva aaafipff

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-31462

Reference Citation

The crystal structure and related material properties of Er5BiPt2 were obtained from the Materials Project database (MP-ID: mp-31462, 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_Er5BiPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.70851720
_cell_length_b   7.70849709
_cell_length_c   8.71897040
_cell_angle_alpha   116.23940612
_cell_angle_beta   116.23927136
_cell_angle_gamma   89.98994635
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er5BiPt2
_chemical_formula_sum   'Er10 Bi2 Pt4'
_cell_volume   404.35148739
_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  0.00000075  0.00000229  0.00000118  1.0
  Er  Er1  1  0.49999982  0.49999792  -0.00000313  1.0
  Er  Er2  1  0.29068158  0.79068701  0.27112008  1.0
  Er  Er3  1  0.48044097  0.29067585  0.27111060  1.0
  Er  Er4  1  0.79066762  0.98045011  0.27110967  1.0
  Er  Er5  1  0.51956196  0.70933542  0.72889367  1.0
  Er  Er6  1  0.20933039  0.01954932  0.72889153  1.0
  Er  Er7  1  0.01962014  0.51961686  0.72891268  1.0
  Er  Er8  1  0.70931096  0.20930748  0.72887606  1.0
  Er  Er9  1  0.98037579  0.48037855  0.27108642  1.0
  Bi  Bi10  1  0.24999615  0.25000554  0.50000092  1.0
  Bi  Bi11  1  0.75000625  0.74999473  0.49999967  1.0
  Pt  Pt12  1  0.36009980  0.86009741  0.00002999  1.0
  Pt  Pt13  1  0.14001798  0.35998237  -0.00000046  1.0
  Pt  Pt14  1  0.85998442  0.64001739  0.00000024  1.0
  Pt  Pt15  1  0.63990441  0.13990275  0.99997189  1.0

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