DyZr8(In2Co)7

High-Entropy Materials HEA

MP-ID: mp-3292312 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

DyZr8(In2Co)7

MP-ID

mp-3292312

Elements

Sites

Density

8.1825

g/cm³

Volume

591.01

Å³

Cell a

9.4201

Cell b

9.4201

Cell c

9.4201

α Angle

120.01

β Angle

89.99

γ Angle

120.01

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
13.29	6.6617	1.9	(1,-1,1)
13.29	6.6603	1.9	(1,0,-1)
13.29	6.6602	1.9	(0,1,0)
30.00	2.9791	1.8	(2,-3,2)
30.00	2.9791	3.6	(3,-2,1)
30.00	2.9791	1.8	(2,-1,2)
30.00	2.9787	3.6	(3,-1,-1)
30.00	2.9787	1.8	(1,-3,1)
30.00	2.9787	1.8	(1,1,1)
30.00	2.9786	3.6	(2,1,-2)
30.00	2.9785	3.6	(1,2,-1)
32.94	2.7194	14.4	(3,-3,1)
32.94	2.7194	14.4	(3,-1,1)
32.94	2.7191	14.4	(3,-2,-1)
32.94	2.7191	14.4	(3,0,-1)
32.94	2.7191	14.4	(2,-3,0)
32.94	2.7191	14.4	(2,1,0)
35.00	2.5641	12.0	(3,-3,2)
35.00	2.5641	12.0	(3,-2,2)
35.00	2.5637	100.0	(3,-3,0)
35.00	2.5637	100.0	(3,0,0)
35.00	2.5636	12.0	(3,-1,-2)
35.00	2.5636	12.0	(3,0,-2)
35.00	2.5635	12.0	(1,-3,0)

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Energy Properties

Formation Energy/atom

-0.38279

eV/atom

Energy/atom

-21.14012

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-21.1401

eV/atom

Volume/atom

19.70

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.7935

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.003030

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

1.9600

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.073%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2313

smaller = more stable mixing

VEC

4.900

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-6.090

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8375

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfihk

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292312

Reference Citation

The crystal structure and related material properties of DyZr8(In2Co)7 were obtained from the Materials Project database (MP-ID: mp-3292312, 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_DyZr8(In2Co)7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.42005528
_cell_length_b   9.42005477
_cell_length_c   9.42005528
_cell_angle_alpha   120.00750421
_cell_angle_beta   89.98736392
_cell_angle_gamma   120.00750421
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyZr8(In2Co)7
_chemical_formula_sum   'Dy1 Zr8 In14 Co7'
_cell_volume   591.00981014
_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
  Dy  Dy0  1  0.00001707  0.00002167  0.00001707  1.0
  Zr  Zr1  1  0.37934656  0.75869279  0.13804810  1.0
  Zr  Zr2  1  0.62065128  0.24130328  0.37934676  1.0
  Zr  Zr3  1  0.13804810  0.75869279  0.37934656  1.0
  Zr  Zr4  1  0.62064266  0.75868788  0.37933784  1.0
  Zr  Zr5  1  0.37934676  0.24130328  0.62065128  1.0
  Zr  Zr6  1  0.86195941  0.24130776  0.62064826  1.0
  Zr  Zr7  1  0.37933784  0.75868788  0.62064266  1.0
  Zr  Zr8  1  0.62064826  0.24130776  0.86195941  1.0
  In  In9  1  0.34403754  0.00000415  0.00004482  1.0
  In  In10  1  0.65596417  0.99999937  0.99996588  1.0
  In  In11  1  0.99996672  0.34400887  0.99996672  1.0
  In  In12  1  0.34401958  0.34401400  0.99999553  1.0
  In  In13  1  0.00002791  0.65599876  0.00002791  1.0
  In  In14  1  0.65599398  0.65598047  0.99998622  1.0
  In  In15  1  0.75000058  0.50000283  0.25000076  1.0
  In  In16  1  0.00004482  0.00000415  0.34403754  1.0
  In  In17  1  0.99999553  0.34401400  0.34401958  1.0
  In  In18  1  0.34404738  0.34400087  0.34404738  1.0
  In  In19  1  0.99996588  0.99999937  0.65596417  1.0
  In  In20  1  0.99998622  0.65598047  0.65599398  1.0
  In  In21  1  0.65597291  0.65599331  0.65597291  1.0
  In  In22  1  0.25000076  0.50000283  0.75000058  1.0
  Co  Co23  1  0.27878411  0.99999914  0.27878411  1.0
  Co  Co24  1  0.72130817  0.99999881  0.27868841  1.0
  Co  Co25  1  0.27868040  0.55736397  0.27868040  1.0
  Co  Co26  1  0.50000551  0.00002086  0.50000551  1.0
  Co  Co27  1  0.27868841  0.99999881  0.72130817  1.0
  Co  Co28  1  0.72120946  0.99999975  0.72120946  1.0
  Co  Co29  1  0.72130701  0.44261712  0.72130701  1.0

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