LaCe(Zn2Rh)2

High-Entropy Materials HEA

MP-ID: mp-3249023 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

LaCe(Zn2Rh)2

MP-ID

mp-3249023

Elements

Sites

Density

8.1178

g/cm³

Volume

152.69

Å³

Cell a

5.2100

Cell b

5.2100

Cell c

7.7865

α Angle

90.00

β Angle

90.00

γ Angle

133.74

Space Group

Amm2

Point Group

mm2

Crystal System

Orthorhombic

Bravais Lattice

Stability

Yes

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
18.52	4.7912	3.3	(1,-1,0)
22.84	3.8932	18.6	(0,0,2)
23.64	3.7640	13.3	(1,0,0)
29.56	3.0215	3.4	(1,-1,2)
33.10	2.7061	100.0	(1,0,2)
35.66	2.5181	8.8	(2,-1,0)
37.54	2.3959	55.8	(2,-1,1)
37.54	2.3956	2.0	(2,-2,0)
39.35	2.2897	40.6	(2,-2,1)
39.49	2.2821	11.2	(1,-1,3)
42.30	2.1367	17.3	(1,0,3)
42.77	2.1144	20.9	(2,-1,2)
44.26	2.0465	31.6	(1,1,0)
44.40	2.0403	6.7	(2,-2,2)
46.66	1.9466	17.0	(0,0,4)
50.37	1.8115	4.4	(1,1,2)
50.50	1.8073	15.7	(2,-1,3)
51.94	1.7604	7.6	(2,-2,3)
52.96	1.7291	7.6	(1,0,4)
54.14	1.6941	3.2	(3,-2,1)
58.20	1.5852	1.3	(3,-2,2)
60.69	1.5259	11.2	(3,-1,1)
60.69	1.5259	11.2	(1,-3,1)
60.79	1.5236	6.1	(2,0,3)

Get direct link

Energy Properties

Formation Energy/atom

-0.59479

eV/atom

Energy/atom

-18.65733

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-18.6573

eV/atom

Volume/atom

19.09

Å³

c/a Ratio

1.4945

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0110

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000070

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

1.2130

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.0849

J/mol·K

Ω Parameter

0.4684

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

16.471%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4143

smaller = more stable mixing

VEC

9.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-25.586

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8750

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahcwgl

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3249023

Reference Citation

The crystal structure and related material properties of LaCe(Zn2Rh)2 were obtained from the Materials Project database (MP-ID: mp-3249023, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_LaCe(Zn2Rh)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.20994815
_cell_length_b   5.20994795
_cell_length_c   7.78645414
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   133.74186638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCe(Zn2Rh)2
_chemical_formula_sum   'La1 Ce1 Zn4 Rh2'
_cell_volume   152.69386837
_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  0.06489761  0.93510439  0.75000000  1.0
  Ce  Ce1  1  0.93810768  0.06189432  0.25000000  1.0
  Zn  Zn2  1  0.65368888  0.34631412  0.04707801  1.0
  Zn  Zn3  1  0.65368888  0.34631412  0.45292099  1.0
  Zn  Zn4  1  0.34859216  0.65141084  0.54147242  1.0
  Zn  Zn5  1  0.34859216  0.65141084  0.95852658  1.0
  Rh  Rh6  1  0.19778284  0.80221916  0.25000000  1.0
  Rh  Rh7  1  0.79465777  0.20534423  0.75000000  1.0

Get direct link