Navigation

HEAS Data Platform · Materials Science Database

Ac17La3Si15Sn

High-Entropy Materials HEA

MP-ID: mp-3291455 · Space group: P1 (#1)

Basic Information

Formula
Ac17La3Si15Sn
MP-ID
mp-3291455
Elements
4
Sites
36
Density
7.0310
g/cm³
Volume
1,137.34
ų
Cell a
8.3136
Å
Cell b
8.2891
Å
Cell c
16.5043
Å
α Angle
90.08
°
β Angle
89.91
°
γ Angle
90.13
°
Space Group
P1
Point Group
1
Crystal System
Triclinic
Bravais Lattice
Triclinic P
Stability
Yes
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
5.35 16.5042 7.5 (0,0,1)
10.67 8.2891 2.2 (0,1,0)
10.72 8.2521 1.6 (0,0,2)
11.94 7.4112 1.3 (0,1,-1)
15.14 5.8520 1.4 (0,1,-2)
15.16 5.8443 1.8 (0,1,2)
18.52 4.7915 6.4 (1,-1,2)
18.55 4.7824 4.2 (1,-1,-2)
18.56 4.7798 7.8 (1,1,2)
18.57 4.7792 3.2 (1,1,-2)
19.38 4.5809 1.5 (0,1,3)
21.38 4.1568 39.6 (2,0,0)
21.44 4.1445 28.4 (0,2,0)
21.54 4.1261 11.2 (0,0,4)
22.04 4.0324 32.9 (2,0,1)
22.06 4.0295 31.6 (2,0,-1)
22.11 4.0210 46.2 (0,2,-1)
22.11 4.0203 6.5 (1,-1,3)
22.12 4.0185 26.1 (0,2,1)
22.16 4.0122 7.6 (1,-1,-3)
22.16 4.0121 11.4 (1,1,3)
22.16 4.0116 11.8 (1,1,-3)
23.93 3.7192 12.6 (2,-1,0)
23.96 3.7147 41.5 (2,0,2)
Get direct link

Energy Properties

Formation Energy/atom
-0.65754
eV/atom
Energy/atom
-39.89154
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-39.8915
eV/atom
Volume/atom
31.59
ų
c/a Ratio
-

Electronic Properties

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

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
7.7535
μB
Mag. Ordering
FM
Mag. Sites
2
Magnetization/Volume
0.006820
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ac · 0.472
Element Family
Actinide
Solute Fraction
0.528
Interstitial Fraction
0.417

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0257
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.5277
J/mol·K
Ω Parameter
2.2348
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
23.624%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3995
smaller = more stable mixing
VEC
2.972
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-5.499
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7399
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3291455
Reference Citation

The crystal structure and related material properties of Ac17La3Si15Sn were obtained from the Materials Project database (MP-ID: mp-3291455, 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_Ac17La3Si15Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.31362942
_cell_length_b   8.28907934
_cell_length_c   16.50426015
_cell_angle_alpha   90.07572419
_cell_angle_beta   89.91288294
_cell_angle_gamma   90.13384376
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ac17La3Si15Sn
_chemical_formula_sum   'Ac17 La3 Si15 Sn1'
_cell_volume   1137.34167869
_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
  Ac  Ac0  1  0.37929960  0.46962477  0.37151728  1.0
  Ac  Ac1  1  0.86928258  0.03712786  0.37253808  1.0
  Ac  Ac2  1  0.97431348  0.12433286  0.12184717  1.0
  Ac  Ac3  1  0.02765728  0.87650248  0.62737193  1.0
  Ac  Ac4  1  0.62597743  0.52605002  0.87447105  1.0
  Ac  Ac5  1  0.47403116  0.37167952  0.62967634  1.0
  Ac  Ac6  1  0.52638523  0.62508624  0.12535958  1.0
  Ac  Ac7  1  0.12511229  0.97317965  0.87780086  1.0
  Ac  Ac8  1  0.98390706  0.61932074  0.05264266  1.0
  Ac  Ac9  1  0.01440315  0.37322728  0.55732253  1.0
  Ac  Ac10  1  0.61974303  0.98447186  0.94564110  1.0
  Ac  Ac11  1  0.12038974  0.51679820  0.80519775  1.0
  Ac  Ac12  1  0.87584395  0.47920012  0.29692564  1.0
  Ac  Ac13  1  0.51521162  0.11918864  0.19286875  1.0
  Ac  Ac14  1  0.48480922  0.88216027  0.69876089  1.0
  Ac  Ac15  1  0.38216822  0.01789269  0.44483961  1.0
  Ac  Ac16  1  0.68675860  0.69343994  0.50096254  1.0
  La  La17  1  0.80922839  0.19114745  0.75217236  1.0
  La  La18  1  0.19216583  0.81048436  0.24331656  1.0
  La  La19  1  0.31057903  0.30923364  0.99978213  1.0
  Si  Si20  1  0.91878744  0.28855712  0.93928210  1.0
  Si  Si21  1  0.71293455  0.08366978  0.56348640  1.0
  Si  Si22  1  0.21060981  0.41931315  0.18771065  1.0
  Si  Si23  1  0.79119688  0.57977218  0.69218577  1.0
  Si  Si24  1  0.41773836  0.21227343  0.81314845  1.0
  Si  Si25  1  0.57956658  0.79066128  0.30784714  1.0
  Si  Si26  1  0.28906149  0.91801811  0.05948312  1.0
  Si  Si27  1  0.82517130  0.80879090  0.78922589  1.0
  Si  Si28  1  0.17579881  0.19123780  0.28556008  1.0
  Si  Si29  1  0.80889655  0.82509665  0.21111359  1.0
  Si  Si30  1  0.31362257  0.67166723  0.54565007  1.0
  Si  Si31  1  0.69270901  0.32565119  0.03759076  1.0
  Si  Si32  1  0.67235059  0.30568766  0.46506167  1.0
  Si  Si33  1  0.32599512  0.69054571  0.96196485  1.0
  Si  Si34  1  0.19007812  0.17567088  0.71540128  1.0
  Sn  Sn35  1  0.07821794  0.71323936  0.43427139  1.0
Get direct link