Er8Sc12Si13Pt3
High-Entropy Materials HEAMP-ID: mp-3292104 · Space group: P1 (#1)
Basic Information
Formula
Er8Sc12Si13Pt3
MP-ID
mp-3292104
Elements
4
Sites
36
Density
6.4365
g/cm³
Volume
729.56
ų
Cell a
7.0660
Å
Cell b
7.3921
Å
Cell c
13.9689
Å
α Angle
89.62
°
β Angle
89.73
°
γ Angle
90.64
°
Space Group
P1
Point Group
1
Crystal System
Triclinic
Bravais Lattice
aP
Stability
Yes
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 |
|---|---|---|---|
| 6.33 | 13.9685 | 29.2 | (0,0,1) |
| 11.97 | 7.3915 | 2.4 | (0,1,0) |
| 12.53 | 7.0655 | 50.7 | (1,0,0) |
| 12.67 | 6.9842 | 3.6 | (0,0,2) |
| 13.59 | 6.5150 | 35.5 | (0,1,-1) |
| 14.02 | 6.3168 | 5.3 | (1,0,1) |
| 14.07 | 6.2929 | 10.6 | (1,0,-1) |
| 17.27 | 5.1361 | 45.7 | (1,-1,0) |
| 17.41 | 5.0937 | 22.4 | (0,1,2) |
| 17.46 | 5.0792 | 26.4 | (1,1,0) |
| 17.53 | 5.0594 | 18.9 | (0,1,-2) |
| 17.82 | 4.9788 | 15.5 | (1,0,2) |
| 17.90 | 4.9554 | 4.3 | (1,0,-2) |
| 18.40 | 4.8225 | 10.2 | (1,-1,-1) |
| 18.41 | 4.8185 | 6.5 | (1,-1,1) |
| 18.54 | 4.7858 | 13.6 | (1,1,1) |
| 18.64 | 4.7612 | 1.7 | (1,1,-1) |
| 19.06 | 4.6562 | 2.5 | (0,0,3) |
| 21.46 | 4.1402 | 8.0 | (1,-1,-2) |
| 21.49 | 4.1352 | 3.7 | (1,-1,2) |
| 21.55 | 4.1236 | 3.1 | (1,1,2) |
| 21.72 | 4.0922 | 5.1 | (1,1,-2) |
| 22.50 | 3.9517 | 66.6 | (0,1,3) |
| 22.64 | 3.9277 | 100.0 | (0,1,-3) |
Energy Properties
Formation Energy/atom
-0.95822
eV/atom
Energy/atom
-19.75565
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-19.7557
eV/atom
Volume/atom
20.27
ų
c/a Ratio
1.9769
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
1.1816
μB
Mag. Ordering
FM
Mag. Sites
4
Magnetization/Volume
0.001620
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Si · 0.361
Element Family
Metalloid-Nonmetal
Solute Fraction
0.639
Interstitial Fraction
0.361
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.2753
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.6031
J/mol·K
Ω Parameter
0.6294
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
16.407%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3450
smaller = more stable mixing
VEC
5.944
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-30.063
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9200
SS Former
0
Phase Tendency
AM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292104
Reference Citation
The crystal structure and related material properties of Er8Sc12Si13Pt3 were obtained from the Materials Project database (MP-ID: mp-3292104, 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…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_Er8Sc12Si13Pt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.06599480
_cell_length_b 7.39209141
_cell_length_c 13.96894207
_cell_angle_alpha 89.61527947
_cell_angle_beta 89.73419037
_cell_angle_gamma 90.63622985
_symmetry_Int_Tables_number 1
_chemical_formula_structural Er8Sc12Si13Pt3
_chemical_formula_sum 'Er8 Sc12 Si13 Pt3'
_cell_volume 729.56294175
_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
Er Er0 1 0.01057561 0.17790833 0.09627089 1.0
Er Er1 1 0.99021226 0.82345078 0.90433392 1.0
Er Er2 1 0.48654504 0.68091714 0.90546083 1.0
Er Er3 1 0.99094022 0.81772308 0.59515596 1.0
Er Er4 1 0.51234460 0.32240312 0.09473907 1.0
Er Er5 1 0.01076060 0.17955594 0.40489493 1.0
Er Er6 1 0.50781471 0.32101583 0.40407228 1.0
Er Er7 1 0.48349360 0.67167077 0.59662604 1.0
Sc Sc8 1 0.15902590 0.50187996 0.74842374 1.0
Sc Sc9 1 0.84111329 0.49870588 0.25096513 1.0
Sc Sc10 1 0.33141901 0.99960086 0.25035140 1.0
Sc Sc11 1 0.66772366 0.99840445 0.74899541 1.0
Sc Sc12 1 0.33035586 0.18374734 0.62218190 1.0
Sc Sc13 1 0.67477166 0.82501830 0.37431252 1.0
Sc Sc14 1 0.17046377 0.66748926 0.37792949 1.0
Sc Sc15 1 0.67833728 0.82685994 0.12494014 1.0
Sc Sc16 1 0.83068187 0.32901552 0.62492415 1.0
Sc Sc17 1 0.32298446 0.17345549 0.87481267 1.0
Sc Sc18 1 0.83375583 0.32104489 0.87533775 1.0
Sc Sc19 1 0.16884515 0.67754329 0.12470487 1.0
Si Si20 1 0.46811204 0.60898014 0.24885461 1.0
Si Si21 1 0.53469045 0.39130525 0.75378011 1.0
Si Si22 1 0.28814456 0.87013952 0.75035573 1.0
Si Si23 1 0.71252631 0.13303363 0.24929766 1.0
Si Si24 1 0.22157171 0.37166406 0.24754933 1.0
Si Si25 1 0.77747592 0.62864175 0.75365346 1.0
Si Si26 1 0.83264837 0.53019984 0.45970692 1.0
Si Si27 1 0.34352803 0.96434671 0.46034482 1.0
Si Si28 1 0.84127116 0.53217386 0.03839385 1.0
Si Si29 1 0.65746220 0.03117313 0.53890814 1.0
Si Si30 1 0.15961670 0.46854979 0.96169880 1.0
Si Si31 1 0.65607763 0.03319846 0.96072919 1.0
Si Si32 1 0.34368467 0.96834729 0.03982426 1.0
Pt Pt33 1 0.03392870 0.11292391 0.74698646 1.0
Pt Pt34 1 0.96961408 0.89256971 0.25040267 1.0
Pt Pt35 1 0.15748013 0.46534377 0.54008291 1.0
