Navigation

HEAS Data Platform · Materials Science Database

Sr2La(YbPt2)2

High-Entropy Materials HEA

MP-ID: mp-3297222 · Space group: P2_12_12_1 (#19)

Basic Information

Formula
Sr2La(YbPt2)2
MP-ID
mp-3297222
Elements
4
Sites
36
Density
10.6309
g/cm³
Volume
900.06
ų
Cell a
7.6799
Å
Cell b
7.8736
Å
Cell c
14.8848
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P2_12_12_1
Point Group
222
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic P
Stability
No
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
11.89 7.4424 19.1 (0,0,2)
12.72 6.9599 17.9 (0,1,1)
16.12 5.4977 25.8 (1,1,0)
20.08 4.4220 19.5 (1,1,2)
21.17 4.1977 5.6 (0,1,3)
22.59 3.9368 9.0 (0,2,0)
23.16 3.8399 10.0 (2,0,0)
23.91 3.7212 11.9 (0,0,4)
24.16 3.6834 13.2 (1,1,3)
25.60 3.4800 2.4 (0,2,2)
26.13 3.4102 1.1 (1,2,1)
26.51 3.3622 1.1 (2,1,1)
28.51 3.1311 2.7 (2,1,2)
28.97 3.0816 1.2 (1,1,4)
29.41 3.0367 1.1 (2,0,3)
31.25 2.8618 100.0 (1,2,3)
31.58 2.8333 81.9 (2,1,3)
32.15 2.7846 1.3 (0,1,5)
32.57 2.7489 15.0 (2,2,0)
33.13 2.7043 38.9 (0,2,4)
33.14 2.7032 24.8 (2,2,1)
33.54 2.6723 4.2 (2,0,4)
34.25 2.6178 38.7 (1,1,5)
35.18 2.5508 40.7 (1,2,4)
Get direct link

Energy Properties

Formation Energy/atom
-1.12623
eV/atom
Energy/atom
-38.79798
eV/atom
Energy above Hull
0.0448
eV/atom
Uncorrected Energy
-38.7980
eV/atom
Volume/atom
25.00
ų
c/a Ratio
-

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0007
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Pt · 0.444
Element Family
5d-TM
Solute Fraction
0.556
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.2730
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.5840
J/mol·K
Ω Parameter
1.3659
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
15.770%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.6186
smaller = more stable mixing
VEC
8.333
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-11.753
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9183
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3297222
Reference Citation

The crystal structure and related material properties of Sr2La(YbPt2)2 were obtained from the Materials Project database (MP-ID: mp-3297222, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_Sr2La(YbPt2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.67985133
_cell_length_b   7.87364391
_cell_length_c   14.88475311
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2La(YbPt2)2
_chemical_formula_sum   'Sr8 La4 Yb8 Pt16'
_cell_volume   900.05742368
_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  0.50260894  0.32565985  0.90387355  1.0
  Sr  Sr1  1  0.00260894  0.17434015  0.59612645  1.0
  Sr  Sr2  1  0.49739106  0.67434015  0.40387355  1.0
  Sr  Sr3  1  0.99739106  0.82565985  0.09612645  1.0
  Sr  Sr4  1  0.50541043  0.67978185  0.09961710  1.0
  Sr  Sr5  1  0.00541043  0.82021815  0.40038290  1.0
  Sr  Sr6  1  0.49458957  0.32021815  0.59961710  1.0
  Sr  Sr7  1  0.99458957  0.17978185  0.90038290  1.0
  La  La8  1  0.34003040  0.83600228  0.87740516  1.0
  La  La9  1  0.84003040  0.66399772  0.62259484  1.0
  La  La10  1  0.65996960  0.16399772  0.37740616  1.0
  La  La11  1  0.15996960  0.33600228  0.12259384  1.0
  Yb  Yb12  1  0.66384521  0.16731743  0.12267665  1.0
  Yb  Yb13  1  0.16384521  0.33268257  0.37732335  1.0
  Yb  Yb14  1  0.33615479  0.83268257  0.62267765  1.0
  Yb  Yb15  1  0.83615479  0.66731743  0.87732235  1.0
  Yb  Yb16  1  0.17806543  0.49261015  0.75032326  1.0
  Yb  Yb17  1  0.67806543  0.00738985  0.74967674  1.0
  Yb  Yb18  1  0.82193457  0.50738985  0.25032326  1.0
  Yb  Yb19  1  0.32193457  0.99261015  0.24967674  1.0
  Pt  Pt20  1  0.33522096  0.04183878  0.04581512  1.0
  Pt  Pt21  1  0.83522096  0.45816122  0.45418488  1.0
  Pt  Pt22  1  0.66477904  0.95816122  0.54581512  1.0
  Pt  Pt23  1  0.16477904  0.54183878  0.95418488  1.0
  Pt  Pt24  1  0.66685271  0.96144498  0.95742852  1.0
  Pt  Pt25  1  0.16685271  0.53855502  0.54257148  1.0
  Pt  Pt26  1  0.33314729  0.03855502  0.45742852  1.0
  Pt  Pt27  1  0.83314729  0.46144498  0.04257148  1.0
  Pt  Pt28  1  0.54204725  0.63279194  0.75087005  1.0
  Pt  Pt29  1  0.04204725  0.86720806  0.74912995  1.0
  Pt  Pt30  1  0.45795275  0.36720806  0.25087005  1.0
  Pt  Pt31  1  0.95795275  0.13279194  0.24912995  1.0
  Pt  Pt32  1  0.30034385  0.12577252  0.75005670  1.0
  Pt  Pt33  1  0.80034385  0.37422748  0.74994330  1.0
  Pt  Pt34  1  0.69965615  0.87422748  0.25005670  1.0
  Pt  Pt35  1  0.19965615  0.62577252  0.24994330  1.0
Get direct link