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Sr13Nd3(ThPt4)4

High-Entropy Materials HEA

MP-ID: mp-3292857 · Space group: P1 (#1)

Basic Information

Formula
Sr13Nd3(ThPt4)4
MP-ID
mp-3292857
Elements
4
Sites
36
Density
9.5926
g/cm³
Volume
973.08
ų
Cell a
7.9330
Å
Cell b
8.0591
Å
Cell c
15.2204
Å
α Angle
89.95
°
β Angle
90.11
°
γ Angle
89.89
°
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
5.81 15.2204 16.5 (0,0,1)
10.98 8.0591 8.4 (0,1,0)
11.15 7.9330 7.6 (1,0,0)
11.63 7.6102 15.8 (0,0,2)
12.42 7.1247 37.8 (0,1,1)
12.43 7.1198 52.7 (0,1,-1)
12.57 7.0402 5.0 (1,0,-1)
15.66 5.6590 17.9 (1,1,0)
15.69 5.6481 30.8 (1,-1,0)
16.71 5.3055 11.2 (1,1,-1)
16.72 5.3029 23.0 (1,1,1)
16.73 5.2985 14.3 (1,-1,-1)
16.75 5.2920 10.4 (1,-1,1)
17.48 5.0735 2.6 (0,0,3)
19.54 4.5427 15.3 (1,1,-2)
19.55 4.5396 13.1 (1,-1,-2)
19.56 4.5395 17.0 (1,1,2)
19.59 4.5313 21.1 (1,-1,2)
20.68 4.2951 12.0 (0,1,3)
20.70 4.2919 8.7 (0,1,-3)
20.80 4.2705 1.1 (1,0,3)
22.06 4.0295 7.5 (0,2,0)
22.41 3.9665 23.5 (2,0,0)
23.16 3.8400 3.1 (2,0,-1)
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Energy Properties

Formation Energy/atom
-1.00631
eV/atom
Energy/atom
-39.97442
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-39.9744
eV/atom
Volume/atom
27.03
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
0.0098
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
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
1.1794
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.8059
J/mol·K
Ω Parameter
1.7678
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
16.502%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.6210
smaller = more stable mixing
VEC
5.639
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-9.038
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8508
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3292857
Reference Citation

The crystal structure and related material properties of Sr13Nd3(ThPt4)4 were obtained from the Materials Project database (MP-ID: mp-3292857, 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_Sr13Nd3(ThPt4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.93299935
_cell_length_b   8.05908242
_cell_length_c   15.22040909
_cell_angle_alpha   89.95284862
_cell_angle_beta   90.10666272
_cell_angle_gamma   89.88969572
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr13Nd3(ThPt4)4
_chemical_formula_sum   'Sr13 Nd3 Th4 Pt16'
_cell_volume   973.07796010
_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  0.84024918  0.66584439  0.88194767  1.0
  Sr  Sr1  1  0.49648258  0.32267325  0.90189486  1.0
  Sr  Sr2  1  0.99002167  0.17643426  0.59580285  1.0
  Sr  Sr3  1  0.50787190  0.67492140  0.40652517  1.0
  Sr  Sr4  1  0.00605237  0.82219534  0.09481928  1.0
  Sr  Sr5  1  0.50568420  0.67743772  0.09325560  1.0
  Sr  Sr6  1  0.00321031  0.82365646  0.40556666  1.0
  Sr  Sr7  1  0.49510932  0.32249912  0.59687995  1.0
  Sr  Sr8  1  0.99464831  0.17905843  0.90520507  1.0
  Sr  Sr9  1  0.17366473  0.48178169  0.75031462  1.0
  Sr  Sr10  1  0.68611568  0.01527703  0.75127692  1.0
  Sr  Sr11  1  0.81311308  0.52267876  0.25118205  1.0
  Sr  Sr12  1  0.31871354  0.97417900  0.25238747  1.0
  Nd  Nd13  1  0.33984422  0.83596608  0.87781750  1.0
  Nd  Nd14  1  0.83994546  0.66472413  0.61940178  1.0
  Nd  Nd15  1  0.65948832  0.16524450  0.37992124  1.0
  Th  Th16  1  0.16075121  0.33581212  0.12225746  1.0
  Th  Th17  1  0.65784862  0.16296397  0.12324056  1.0
  Th  Th18  1  0.15982451  0.33650828  0.37956757  1.0
  Th  Th19  1  0.34076119  0.83600686  0.62082823  1.0
  Pt  Pt20  1  0.32756612  0.05642708  0.04199969  1.0
  Pt  Pt21  1  0.84522473  0.44894911  0.45772761  1.0
  Pt  Pt22  1  0.65373510  0.94936328  0.54059700  1.0
  Pt  Pt23  1  0.18788132  0.54091130  0.96812178  1.0
  Pt  Pt24  1  0.66166628  0.97218321  0.96626410  1.0
  Pt  Pt25  1  0.18174632  0.55102627  0.53477026  1.0
  Pt  Pt26  1  0.31837638  0.05314413  0.46331196  1.0
  Pt  Pt27  1  0.83578315  0.43639182  0.04719176  1.0
  Pt  Pt28  1  0.53786432  0.63631597  0.74292649  1.0
  Pt  Pt29  1  0.05721382  0.86423591  0.73943281  1.0
  Pt  Pt30  1  0.44998739  0.35478308  0.24826339  1.0
  Pt  Pt31  1  0.95851688  0.14188702  0.24984549  1.0
  Pt  Pt32  1  0.30208338  0.11135348  0.74679206  1.0
  Pt  Pt33  1  0.78504203  0.38790297  0.74467533  1.0
  Pt  Pt34  1  0.70775888  0.89592396  0.24653379  1.0
  Pt  Pt35  1  0.20015750  0.60334359  0.25145197  1.0
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