Sr8Yb11PrPt16
High-Entropy Materials HEAMP-ID: mp-3292100 · Space group: P1 (#1)
Basic Information
Formula
Sr8Yb11PrPt16
MP-ID
mp-3292100
Elements
4
Sites
36
Density
11.2272
g/cm³
Volume
867.70
ų
Cell a
7.5863
Å
Cell b
7.7795
Å
Cell c
14.7023
Å
α Angle
89.97
°
β Angle
90.03
°
γ Angle
89.93
°
Space Group
P1
Point Group
1
Crystal System
Triclinic
Bravais Lattice
aP
Stability
No
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 6.01 | 14.7023 | 1.9 | (0,0,1) |
| 12.04 | 7.3512 | 37.1 | (0,0,2) |
| 12.87 | 6.8777 | 28.5 | (0,1,1) |
| 12.88 | 6.8748 | 25.4 | (0,1,-1) |
| 16.31 | 5.4346 | 31.5 | (1,1,0) |
| 16.33 | 5.4281 | 27.1 | (1,-1,0) |
| 20.32 | 4.3701 | 10.8 | (1,1,2) |
| 20.32 | 4.3700 | 9.4 | (1,1,-2) |
| 20.33 | 4.3682 | 10.5 | (1,-1,-2) |
| 20.34 | 4.3652 | 10.7 | (1,-1,2) |
| 21.42 | 4.1475 | 6.2 | (0,1,3) |
| 21.43 | 4.1456 | 6.9 | (0,1,-3) |
| 22.86 | 3.8898 | 17.1 | (0,2,0) |
| 23.45 | 3.7931 | 20.8 | (2,0,0) |
| 24.21 | 3.6756 | 21.6 | (0,0,4) |
| 24.46 | 3.6395 | 6.0 | (1,1,3) |
| 24.46 | 3.6395 | 6.3 | (1,1,-3) |
| 24.46 | 3.6388 | 5.3 | (1,-1,-3) |
| 24.48 | 3.6363 | 6.6 | (1,-1,3) |
| 25.91 | 3.4388 | 2.3 | (0,2,2) |
| 25.92 | 3.4374 | 1.8 | (0,2,-2) |
| 28.85 | 3.0944 | 1.4 | (2,1,-2) |
| 28.86 | 3.0939 | 1.0 | (2,1,2) |
| 28.87 | 3.0926 | 1.0 | (2,-1,-2) |
Energy Properties
Formation Energy/atom
-1.16395
eV/atom
Energy/atom
-39.39161
eV/atom
Energy above Hull
0.0284
eV/atom
Uncorrected Energy
-39.3916
eV/atom
Volume/atom
24.10
ų
c/a Ratio
1.9380
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0003
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
1.1565
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.6149
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
15.037%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.6179
smaller = more stable mixing
VEC
9.250
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8342
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292100
Reference Citation
The crystal structure and related material properties of Sr8Yb11PrPt16 were obtained from the Materials Project database (MP-ID: mp-3292100, 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_Sr8Yb11PrPt16
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.58629374
_cell_length_b 7.77949987
_cell_length_c 14.70233798
_cell_angle_alpha 89.97092618
_cell_angle_beta 90.02808305
_cell_angle_gamma 89.93164663
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr8Yb11PrPt16
_chemical_formula_sum 'Sr8 Yb11 Pr1 Pt16'
_cell_volume 867.69544448
_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
Sr Sr0 1 0.49824863 0.32544687 0.90422718 1.0
Sr Sr1 1 0.99832758 0.17515549 0.59331376 1.0
Sr Sr2 1 0.50173351 0.67439985 0.40360574 1.0
Sr Sr3 1 0.00045537 0.82529426 0.09867773 1.0
Sr Sr4 1 0.50357614 0.67377892 0.10068839 1.0
Sr Sr5 1 0.00179331 0.82434362 0.40396909 1.0
Sr Sr6 1 0.49961722 0.32407118 0.59363976 1.0
Sr Sr7 1 0.99392982 0.18046351 0.90348539 1.0
Yb Yb8 1 0.83507055 0.66554240 0.62101855 1.0
Yb Yb9 1 0.66500162 0.16669110 0.37706681 1.0
Yb Yb10 1 0.16263886 0.33311900 0.12506472 1.0
Yb Yb11 1 0.66565489 0.16831603 0.12428217 1.0
Yb Yb12 1 0.16560424 0.33225668 0.37726471 1.0
Yb Yb13 1 0.33524976 0.83215861 0.62138819 1.0
Yb Yb14 1 0.83616109 0.66854472 0.87623348 1.0
Yb Yb15 1 0.17123606 0.49450102 0.74637118 1.0
Yb Yb16 1 0.67696582 0.00436409 0.74673445 1.0
Yb Yb17 1 0.82742844 0.50003868 0.25168647 1.0
Yb Yb18 1 0.32670625 0.99861982 0.25157552 1.0
Pr Pr19 1 0.33454870 0.83200722 0.87771113 1.0
Pt Pt20 1 0.33630799 0.04291995 0.04680366 1.0
Pt Pt21 1 0.83861668 0.45913703 0.45604380 1.0
Pt Pt22 1 0.66223849 0.95916460 0.54301838 1.0
Pt Pt23 1 0.15870264 0.53958550 0.95854599 1.0
Pt Pt24 1 0.66669387 0.96112870 0.95822423 1.0
Pt Pt25 1 0.16196853 0.53914761 0.54277811 1.0
Pt Pt26 1 0.33926870 0.03920537 0.45632776 1.0
Pt Pt27 1 0.83827004 0.46069184 0.04415894 1.0
Pt Pt28 1 0.54291582 0.63033975 0.74947624 1.0
Pt Pt29 1 0.03856604 0.86873468 0.74656979 1.0
Pt Pt30 1 0.45786112 0.36558334 0.25042229 1.0
Pt Pt31 1 0.95807386 0.13268989 0.25121804 1.0
Pt Pt32 1 0.29643729 0.12598783 0.74803754 1.0
Pt Pt33 1 0.79587109 0.37734944 0.74822124 1.0
Pt Pt34 1 0.70458964 0.87738097 0.25107569 1.0
Pt Pt35 1 0.20366932 0.62183943 0.25107487 1.0
