Sr3(LaPt2)2

高熵材料 HEA 传统材料 TRA

MP-ID: mp-3294381 · Space group: Pnma (#62)

Materials Project API

Basic Information

Formula

Sr3(LaPt2)2

MP-ID

mp-3294381

Elements

Sites

Density

8.9323

g/cm³

Volume

982.32

Å³

Cell a

7.9252

Cell b

8.0859

Cell c

15.3289

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pnma

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
11.55	7.6645	2.6	(0,0,2)
12.38	7.1519	15.2	(0,1,1)
15.66	5.6599	13.8	(1,1,0)
16.70	5.3096	13.3	(1,1,1)
19.50	4.5530	31.0	(1,1,2)
20.56	4.3195	3.5	(0,1,3)
21.99	4.0430	5.9	(0,2,0)
22.44	3.9626	8.0	(2,0,0)
23.21	3.8322	12.3	(0,0,4)
23.46	3.7927	34.3	(1,1,3)
24.72	3.6014	1.5	(1,2,0)
24.90	3.5760	5.8	(0,2,2)
25.30	3.5200	1.1	(2,0,2)
25.41	3.5060	1.4	(1,2,1)
25.70	3.4661	1.6	(2,1,1)
27.64	3.2275	2.4	(2,1,2)
30.36	2.9437	100.0	(1,2,3)
30.62	2.9200	83.0	(2,1,3)
31.62	2.8300	17.3	(2,2,0)
32.16	2.7829	10.7	(2,2,1)
32.18	2.7813	35.1	(0,2,4)
32.50	2.7547	5.6	(2,0,4)
33.23	2.6957	21.1	(1,1,5)
33.76	2.6548	2.3	(2,2,2)

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Energy Properties

Formation Energy/atom

-1.02586

eV/atom

Energy/atom

-35.56780

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-35.5678

eV/atom

Volume/atom

27.29

Å³

c/a Ratio

1.9342

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0056

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pt · 0.444

Element Family

5d-TM

Solute Fraction

0.556

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0609

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.8200

J/mol·K

Ω Parameter

0.5712

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

17.100%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.6334

smaller = more stable mixing

VEC

5.778

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-23.506

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9656

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfliz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294381

Reference Citation

The crystal structure and related material properties of Sr3(LaPt2)2 were obtained from the Materials Project database (MP-ID: mp-3294381, 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_Sr3(LaPt2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.92524278
_cell_length_b   8.08590315
_cell_length_c   15.32893447
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3(LaPt2)2
_chemical_formula_sum   'Sr12 La8 Pt16'
_cell_volume   982.32020689
_cell_formula_units_Z   4
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
  Sr  Sr0  1  0.49505105  0.32104727  0.90381234  1.0
  Sr  Sr1  1  0.99505105  0.17895273  0.59618766  1.0
  Sr  Sr2  1  0.50494895  0.67895273  0.40381234  1.0
  Sr  Sr3  1  0.00494895  0.82104727  0.09618766  1.0
  Sr  Sr4  1  0.50494895  0.67895273  0.09618766  1.0
  Sr  Sr5  1  0.00494895  0.82104727  0.40381234  1.0
  Sr  Sr6  1  0.49505105  0.32104727  0.59618766  1.0
  Sr  Sr7  1  0.99505105  0.17895273  0.90381234  1.0
  Sr  Sr8  1  0.18295286  0.48155052  0.75000000  1.0
  Sr  Sr9  1  0.68295286  0.01844948  0.75000000  1.0
  Sr  Sr10  1  0.81704714  0.51844948  0.25000000  1.0
  Sr  Sr11  1  0.31704714  0.98155052  0.25000000  1.0
  La  La12  1  0.34086501  0.83453673  0.87972669  1.0
  La  La13  1  0.84086501  0.66546327  0.62027331  1.0
  La  La14  1  0.65913499  0.16546327  0.37972769  1.0
  La  La15  1  0.15913499  0.33453673  0.12027231  1.0
  La  La16  1  0.65913499  0.16546327  0.12027231  1.0
  La  La17  1  0.15913499  0.33453673  0.37972769  1.0
  La  La18  1  0.34086501  0.83453673  0.62027331  1.0
  La  La19  1  0.84086501  0.66546327  0.87972669  1.0
  Pt  Pt20  1  0.32882615  0.04345681  0.03965907  1.0
  Pt  Pt21  1  0.82882615  0.45654319  0.46034093  1.0
  Pt  Pt22  1  0.67117385  0.95654319  0.53965907  1.0
  Pt  Pt23  1  0.17117385  0.54345681  0.96034093  1.0
  Pt  Pt24  1  0.67117385  0.95654319  0.96034093  1.0
  Pt  Pt25  1  0.17117385  0.54345681  0.53965907  1.0
  Pt  Pt26  1  0.32882615  0.04345681  0.46034093  1.0
  Pt  Pt27  1  0.82882615  0.45654319  0.03965907  1.0
  Pt  Pt28  1  0.54874196  0.63387211  0.75000000  1.0
  Pt  Pt29  1  0.04874196  0.86612789  0.75000000  1.0
  Pt  Pt30  1  0.45125804  0.36612789  0.25000000  1.0
  Pt  Pt31  1  0.95125804  0.13387211  0.25000000  1.0
  Pt  Pt32  1  0.29508026  0.11250517  0.75000000  1.0
  Pt  Pt33  1  0.79508026  0.38749483  0.75000000  1.0
  Pt  Pt34  1  0.70491974  0.88749483  0.25000000  1.0
  Pt  Pt35  1  0.20491974  0.61250517  0.25000000  1.0

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