La2Zn8Pt3Rh

高熵材料 HEA

MP-ID: mp-3251029 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

La2Zn8Pt3Rh

MP-ID

mp-3251029

Elements

Sites

Density

10.1137

g/cm³

Volume

244.51

Å³

Cell a

7.6195

Cell b

7.6195

Cell c

4.2117

α Angle

90.00

β Angle

90.00

γ Angle

89.60

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
11.61	7.6193	8.6	(1,0,0)
16.40	5.4067	1.6	(1,1,0)
16.51	5.3689	3.4	(1,-1,0)
21.09	4.2117	1.5	(0,0,1)
23.35	3.8097	37.3	(2,0,0)
24.14	3.6861	7.9	(1,0,1)
26.08	3.4171	12.2	(2,1,0)
26.23	3.3979	9.1	(2,-1,0)
26.83	3.3226	38.8	(1,1,1)
26.91	3.3138	41.5	(1,-1,1)
31.67	2.8253	2.9	(2,0,1)
33.14	2.7033	43.3	(2,2,0)
33.38	2.6844	47.6	(2,-2,0)
33.78	2.6536	88.9	(2,1,1)
33.90	2.6446	65.8	(2,-1,1)
37.24	2.4145	29.4	(3,1,0)
37.40	2.4044	16.3	(3,-1,0)
39.62	2.2750	23.8	(2,2,1)
39.82	2.2637	39.3	(2,-2,1)
41.52	2.1749	27.1	(3,0,1)
42.95	2.1059	81.6	(0,0,2)
43.19	2.0947	97.9	(3,1,1)
43.33	2.0881	100.0	(3,-1,1)
47.75	1.9048	6.5	(4,0,0)

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Energy Properties

Formation Energy/atom

-0.69405

eV/atom

Energy/atom

-22.79218

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-22.7922

eV/atom

Volume/atom

17.47

Å³

c/a Ratio

0.5528

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Zn · 0.571

Element Family

3d-TM

Solute Fraction

0.429

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1164

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.2815

J/mol·K

Ω Parameter

0.3534

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

14.608%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3825

smaller = more stable mixing

VEC

10.071

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-30.558

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8053

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahczfp

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3251029

Reference Citation

The crystal structure and related material properties of La2Zn8Pt3Rh were obtained from the Materials Project database (MP-ID: mp-3251029, 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

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Raw CIF Data

# generated using pymatgen
data_La2Zn8Pt3Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.61949746
_cell_length_b   7.61949746
_cell_length_c   4.21173485
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.59836170
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2Zn8Pt3Rh
_chemical_formula_sum   'La2 Zn8 Pt3 Rh1'
_cell_volume   244.51359428
_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  0.50314679  0.49685321  0.50000000  1.0
  La  La1  1  0.99737054  0.00262946  0.00000000  1.0
  Zn  Zn2  1  0.35742737  0.09277627  0.50000000  1.0
  Zn  Zn3  1  0.65325369  0.91075682  0.50000000  1.0
  Zn  Zn4  1  0.85284570  0.40555727  0.00000000  1.0
  Zn  Zn5  1  0.14839699  0.59399614  0.00000000  1.0
  Zn  Zn6  1  0.08924318  0.34674631  0.50000000  1.0
  Zn  Zn7  1  0.90722373  0.64257263  0.50000000  1.0
  Zn  Zn8  1  0.40600386  0.85160301  0.00000000  1.0
  Zn  Zn9  1  0.59444273  0.14715430  0.00000000  1.0
  Pt  Pt10  1  0.21814713  0.78185287  0.50000000  1.0
  Pt  Pt11  1  0.27998786  0.28064802  0.00000000  1.0
  Pt  Pt12  1  0.71935198  0.72001214  0.00000000  1.0
  Rh  Rh13  1  0.77315644  0.22684356  0.50000000  1.0

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