PrIn5Co

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1078167 · Space group: P4/mmm (#123)

Materials Project API

Basic Information

Formula

PrIn5Co

MP-ID

mp-1078167

Elements

Sites

Density

7.9942

g/cm³

Volume

160.76

Å³

Cell a

4.5981

Cell b

4.5981

Cell c

7.6037

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4/mmm

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
19.30	4.5981	4.5	(1,0,0)
22.60	3.9346	1.2	(1,0,1)
27.43	3.2513	5.3	(1,1,0)
29.89	2.9895	55.2	(1,1,1)
30.51	2.9300	2.8	(1,0,2)
35.42	2.5346	24.7	(0,0,3)
36.36	2.4710	100.0	(1,1,2)
39.18	2.2990	58.9	(2,0,0)
44.04	2.0563	1.0	(2,1,0)
45.37	1.9990	6.6	(1,1,3)
47.85	1.9009	2.8	(0,0,4)
50.46	1.8087	1.4	(2,1,2)
53.84	1.7029	29.0	(2,0,3)
56.04	1.6410	6.4	(1,1,4)
56.62	1.6257	19.5	(2,2,0)
63.50	1.4650	4.7	(2,0,4)
65.34	1.4282	11.5	(3,1,1)
68.06	1.3775	14.4	(1,1,5)
68.58	1.3684	13.8	(2,2,3)
69.17	1.3581	28.9	(3,1,2)
74.86	1.2684	1.4	(2,0,5)
74.94	1.2673	2.8	(0,0,6)
75.36	1.2612	2.7	(3,1,3)
77.22	1.2355	2.6	(2,2,4)

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Energy Properties

Formation Energy/atom

-0.25330

eV/atom

Energy/atom

-3.92827

eV/atom

Energy above Hull

0.0081

eV/atom

Uncorrected Energy

-22.5529

eV/atom

Volume/atom

22.97

Å³

c/a Ratio

1.6537

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

In · 0.714

Element Family

PostTransition-Noble

Solute Fraction

0.286

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.7963

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.6205

J/mol·K

Ω Parameter

0.6861

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.349%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2358

smaller = more stable mixing

VEC

3.857

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

7.064

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7248

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.611

Family

In-rich Multi-Component

Matrix Element

In · 0.714

Related Tasks

Related computation task IDs (5)

aaadmrmt aaadsqpz aaaekprh aaaeujae aaafbyhq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1078167

Reference Citation

The crystal structure and related material properties of PrIn5Co were obtained from the Materials Project database (MP-ID: mp-1078167, 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_PrIn5Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59806944
_cell_length_b   4.59806944
_cell_length_c   7.60371812
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrIn5Co
_chemical_formula_sum   'Pr1 In5 Co1'
_cell_volume   160.75965297
_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
  Pr  Pr0  1  -0.00000000  0.00000000  -0.00000000  1.0
  In  In1  1  0.50000000  0.50000000  0.00000000  1.0
  In  In2  1  0.50000000  0.00000000  0.68807294  1.0
  In  In3  1  -0.00000000  0.50000000  0.68807294  1.0
  In  In4  1  0.50000000  -0.00000000  0.31192706  1.0
  In  In5  1  0.00000000  0.50000000  0.31192706  1.0
  Co  Co6  1  -0.00000000  0.00000000  0.50000000  1.0

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