LaSm(Zn2Pt)4

高熵材料 HEA

MP-ID: mp-3295693 · Space group: Cmmm (#65)

Materials Project API

Basic Information

Formula

LaSm(Zn2Pt)4

MP-ID

mp-3295693

Elements

Sites

Density

10.8803

g/cm³

Volume

243.10

Å³

Cell a

7.5916

Cell b

7.5916

Cell c

4.2194

α Angle

90.00

β Angle

90.00

γ Angle

91.39

Space Group

Cmmm

Point Group

mmm

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
11.66	7.5894	1.7	(1,0,0)
23.44	3.7947	43.4	(2,0,0)
24.13	3.6878	2.3	(1,0,1)
26.00	3.4275	11.4	(2,-1,0)
26.52	3.3616	13.2	(2,1,0)
26.75	3.3324	47.1	(1,-1,1)
27.01	3.3017	46.2	(1,1,1)
32.97	2.7164	47.3	(2,-2,0)
33.69	2.6604	68.0	(2,-1,1)
33.81	2.6513	42.0	(2,2,0)
34.10	2.6292	76.9	(2,1,1)
37.19	2.4176	21.3	(3,-1,0)
37.76	2.3827	15.0	(3,1,0)
39.45	2.2840	25.3	(2,-2,1)
40.17	2.2449	32.9	(2,2,1)
41.63	2.1697	34.7	(3,0,1)
42.87	2.1097	78.9	(0,0,2)
43.12	2.0977	100.0	(3,-1,1)
43.63	2.0747	84.2	(3,1,1)
47.86	1.9007	4.9	(3,-2,1)
47.95	1.8974	6.1	(4,0,0)
48.78	1.8669	4.5	(3,2,1)
49.22	1.8513	24.4	(4,-1,0)
49.43	1.8439	12.4	(2,0,2)

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Energy Properties

Formation Energy/atom

-0.73193

eV/atom

Energy/atom

-24.78289

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-24.7829

eV/atom

Volume/atom

17.36

Å³

c/a Ratio

0.5558

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0003

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

1.0547

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.7689

J/mol·K

Ω Parameter

0.4278

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.408%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3743

smaller = more stable mixing

VEC

10.357

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-23.782

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7608

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfnhl

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295693

Reference Citation

The crystal structure and related material properties of LaSm(Zn2Pt)4 were obtained from the Materials Project database (MP-ID: mp-3295693, 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_LaSm(Zn2Pt)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.59162223
_cell_length_b   7.59162223
_cell_length_c   4.21938131
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   91.39090016
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSm(Zn2Pt)4
_chemical_formula_sum   'La1 Sm1 Zn8 Pt4'
_cell_volume   243.10280604
_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  0.00000000  0.00000000  0.00000000  1.0
  Sm  Sm1  1  0.50000000  0.50000000  0.50000000  1.0
  Zn  Zn2  1  0.35480273  0.09609603  0.50000000  1.0
  Zn  Zn3  1  0.64519727  0.90390397  0.50000000  1.0
  Zn  Zn4  1  0.84816570  0.40800092  0.00000000  1.0
  Zn  Zn5  1  0.15183430  0.59199908  0.00000000  1.0
  Zn  Zn6  1  0.09609603  0.35480273  0.50000000  1.0
  Zn  Zn7  1  0.90390397  0.64519727  0.50000000  1.0
  Zn  Zn8  1  0.40800092  0.84816570  0.00000000  1.0
  Zn  Zn9  1  0.59199908  0.15183430  0.00000000  1.0
  Pt  Pt10  1  0.77919061  0.22080939  0.50000000  1.0
  Pt  Pt11  1  0.22080939  0.77919061  0.50000000  1.0
  Pt  Pt12  1  0.28591901  0.28591901  0.00000000  1.0
  Pt  Pt13  1  0.71408099  0.71408099  0.00000000  1.0

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