LaHf8(In2Co)7

High-Entropy Materials HEA

MP-ID: mp-3292776 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

LaHf8(In2Co)7

MP-ID

mp-3292776

Elements

Sites

Density

10.1428

g/cm³

Volume

587.22

Å³

Cell a

9.3995

Cell b

9.3995

Cell c

9.3995

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

Fm-3m

Point Group

m-3m

Crystal System

Cubic

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
11.53	7.6747	16.8	(1,0,0)
13.32	6.6465	2.8	(1,1,0)
22.18	4.0080	10.1	(1,1,-1)
26.83	3.3232	6.0	(2,2,0)
29.29	3.0496	3.0	(2,0,-1)
30.06	2.9724	12.3	(2,1,-1)
33.01	2.7134	19.6	(2,-1,-1)
33.01	2.7134	6.5	(1,1,-2)
35.08	2.5582	27.7	(0,3,0)
35.08	2.5582	100.0	(3,2,0)
38.30	2.3499	38.6	(2,-2,0)
38.30	2.3499	38.6	(4,2,2)
40.13	2.2469	15.9	(2,-2,1)
40.13	2.2469	47.8	(3,1,-1)
40.73	2.2155	11.1	(3,-1,0)
40.73	2.2155	8.1	(3,0,-1)
43.04	2.1018	1.8	(4,3,1)
44.70	2.0272	4.5	(3,-1,-1)
45.25	2.0040	2.1	(2,-2,2)
45.25	2.0040	10.7	(4,2,0)
47.38	1.9187	2.2	(4,0,0)
48.93	1.8614	1.4	(3,-2,0)
48.93	1.8614	1.4	(4,3,0)
49.44	1.8434	1.2	(3,-2,1)

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Energy Properties

Formation Energy/atom

-0.36849

eV/atom

Energy/atom

-27.02503

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-27.0250

eV/atom

Volume/atom

19.57

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.3391

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.002280

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

In · 0.467

Element Family

PostTransition-Noble

Solute Fraction

0.533

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1611

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.6532

J/mol·K

Ω Parameter

2.7540

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.712%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2509

smaller = more stable mixing

VEC

4.667

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-4.631

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8375

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfizg

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292776

Reference Citation

The crystal structure and related material properties of LaHf8(In2Co)7 were obtained from the Materials Project database (MP-ID: mp-3292776, 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_LaHf8(In2Co)7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.39949297
_cell_length_b   9.39949367
_cell_length_c   9.39949320
_cell_angle_alpha   60.00000167
_cell_angle_beta   59.99999918
_cell_angle_gamma   60.00000589
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHf8(In2Co)7
_chemical_formula_sum   'La1 Hf8 In14 Co7'
_cell_volume   587.21663386
_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
  La  La0  1  0.50000000  0.50000000  0.50000000  1.0
  Hf  Hf1  1  0.11902072  0.64293683  0.11902072  1.0
  Hf  Hf2  1  0.35706317  0.88097928  0.88097928  1.0
  Hf  Hf3  1  0.88097928  0.88097928  0.88097928  1.0
  Hf  Hf4  1  0.64293683  0.11902072  0.11902072  1.0
  Hf  Hf5  1  0.88097928  0.88097928  0.35706317  1.0
  Hf  Hf6  1  0.11902072  0.11902072  0.11902072  1.0
  Hf  Hf7  1  0.88097928  0.35706317  0.88097928  1.0
  Hf  Hf8  1  0.11902072  0.11902072  0.64293683  1.0
  In  In9  1  0.50000000  0.84745292  0.15254708  1.0
  In  In10  1  0.50000000  0.84745292  0.50000000  1.0
  In  In11  1  0.50000000  0.15254708  0.50000000  1.0
  In  In12  1  0.50000000  0.50000000  0.84745292  1.0
  In  In13  1  0.15254708  0.50000000  0.50000000  1.0
  In  In14  1  0.84745292  0.15254708  0.50000000  1.0
  In  In15  1  0.15254708  0.84745292  0.50000000  1.0
  In  In16  1  0.50000000  0.15254708  0.84745292  1.0
  In  In17  1  0.15254708  0.50000000  0.84745292  1.0
  In  In18  1  0.50000000  0.50000000  0.15254708  1.0
  In  In19  1  0.84745292  0.50000000  0.50000000  1.0
  In  In20  1  0.84745292  0.50000000  0.15254708  1.0
  In  In21  1  0.25000000  0.25000000  0.25000000  1.0
  In  In22  1  0.75000000  0.75000000  0.75000000  1.0
  Co  Co23  1  0.78061339  0.78061339  0.21938661  1.0
  Co  Co24  1  0.00000000  0.00000000  0.00000000  1.0
  Co  Co25  1  0.21938661  0.78061339  0.21938661  1.0
  Co  Co26  1  0.21938661  0.78061339  0.78061339  1.0
  Co  Co27  1  0.21938661  0.21938661  0.78061339  1.0
  Co  Co28  1  0.78061339  0.21938661  0.78061339  1.0
  Co  Co29  1  0.78061339  0.21938661  0.21938661  1.0

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