LaZn2Co

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1025485 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

LaZn2Co

MP-ID

mp-1025485

Elements

Sites

Density

7.3707

g/cm³

Volume

148.09

Å³

Cell a

6.8399

Cell b

6.8399

Cell c

4.4342

α Angle

90.00

β Angle

90.00

γ Angle

134.45

Space Group

Cmcm

Point Group

mmm

Crystal System

Orthorhombic

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
18.17	4.8826	1.5	(1,0,0)
24.54	3.6273	7.4	(1,-1,1)
27.08	3.2928	14.9	(2,-1,0)
27.17	3.2826	48.5	(1,0,1)
33.86	2.6477	2.6	(1,1,0)
33.91	2.6436	56.1	(2,-1,1)
34.91	2.5698	100.0	(2,-2,1)
36.82	2.4413	61.0	(2,0,0)
39.57	2.2774	38.9	(3,-2,0)
40.70	2.2171	57.9	(0,0,2)
42.26	2.1386	94.7	(2,0,1)
43.03	2.1022	2.0	(3,-3,0)
44.73	2.0259	4.3	(3,-2,1)
47.89	1.8995	1.1	(3,-3,1)
49.57	1.8391	5.9	(2,-1,2)
53.74	1.7058	8.9	(4,-3,0)
53.94	1.6999	1.4	(1,1,2)
55.84	1.6464	2.9	(4,-2,0)
56.03	1.6413	35.3	(2,0,2)
56.55	1.6275	1.3	(3,0,0)
56.59	1.6263	5.2	(2,1,1)
57.92	1.5921	10.3	(4,-3,1)
58.06	1.5886	24.6	(3,-2,2)
58.54	1.5767	5.2	(4,-4,0)

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Energy Properties

Formation Energy/atom

-0.20753

eV/atom

Energy/atom

-15.40759

eV/atom

Energy above Hull

0.0914

eV/atom

Uncorrected Energy

-3.8308

eV/atom

Volume/atom

18.51

Å³

c/a Ratio

0.6483

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0008

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Zn · 0.500

Element Family

3d-TM

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0397

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.6442

J/mol·K

Ω Parameter

0.5061

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

19.017%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2871

smaller = more stable mixing

VEC

9.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-18.561

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.613

Family

Zn-based Alloy

Matrix Element

Zn · 0.500

Related Tasks

Related computation task IDs (5)

aaadocii aaadvqic aaaegixv aaaeqcqm aaafbbar

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1025485

Reference Citation

The crystal structure and related material properties of LaZn2Co were obtained from the Materials Project database (MP-ID: mp-1025485, 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_LaZn2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.83986490
_cell_length_b   6.83986490
_cell_length_c   4.43417700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   134.45106745
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZn2Co
_chemical_formula_sum   'La2 Zn4 Co2'
_cell_volume   148.08610135
_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
  La  La0  1  0.79672200  0.20327800  0.25000000  1.0
  La  La1  1  0.20327800  0.79672200  0.75000000  1.0
  Zn  Zn2  1  0.79925200  0.68511100  0.25000000  1.0
  Zn  Zn3  1  0.20074800  0.31488900  0.75000000  1.0
  Zn  Zn4  1  0.31488900  0.20074800  0.25000000  1.0
  Zn  Zn5  1  0.68511100  0.79925200  0.75000000  1.0
  Co  Co6  1  0.38243000  0.61757000  0.25000000  1.0
  Co  Co7  1  0.61757000  0.38243000  0.75000000  1.0

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