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Sr3Au2

Traditional Materials TRA

MP-ID: mp-30421 · Space group: R-3 (#148)

Basic Information

Formula
Sr3Au2
MP-ID
mp-30421
Elements
2
Sites
15
Density
6.5486
g/cm³
Volume
499.63
ų
Cell a
8.3378
Å
Cell b
8.3378
Å
Cell c
8.3378
Å
α Angle
70.63
°
β Angle
70.63
°
γ Angle
70.63
°
Space Group
R-3
Point Group
-
Crystal System
Trigonal
Bravais Lattice
-
Stability
Yes
Packing Fraction
-

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
11.62 7.6181 45.0 (1,0,0)
14.25 6.2162 1.4 (1,1,0)
14.27 6.2083 10.9 (1,1,1)
18.41 4.8200 39.3 (1,0,-1)
21.82 4.0732 13.9 (1,1,-1)
23.35 3.8091 2.3 (2,0,0)
23.35 3.8091 1.2 (0,2,0)
23.37 3.8072 21.8 (2,1,0)
23.37 3.8072 25.5 (2,0,1)
26.20 3.4017 3.9 (2,2,1)
28.69 3.1111 17.8 (2,0,-1)
28.72 3.1081 6.4 (2,2,0)
28.76 3.1041 44.0 (2,2,2)
29.90 2.9885 100.0 (2,1,-1)
32.17 2.7828 22.8 (1,1,-2)
32.17 2.7828 45.7 (2,-1,-1)
32.21 2.7793 13.4 (3,1,1)
34.33 2.6121 24.9 (3,1,0)
34.33 2.6121 43.7 (3,0,1)
34.36 2.6098 56.1 (3,2,1)
34.36 2.6098 29.1 (3,1,2)
35.35 2.5394 1.6 (0,0,3)
35.35 2.5394 3.2 (3,0,0)
35.41 2.5351 1.6 (3,2,2)
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Energy Properties

Formation Energy/atom
-0.68154
eV/atom
Energy/atom
-30.00293
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-
eV/atom
Volume/atom
-
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
0.0000
μB
Mag. Ordering
Unknown
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
Sr · 0.600
Element Family
N/A
Solute Fraction
0.400
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.667
Family
Binary Alloy
Matrix Element
Sr · 0.600

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-30421
Reference Citation

The crystal structure and related material properties of Sr3Au2 were obtained from the Materials Project database (MP-ID: mp-30421, 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_Sr3Au2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.33780221
_cell_length_b   8.33780164
_cell_length_c   8.33780240
_cell_angle_alpha   70.63211259
_cell_angle_beta   70.63211416
_cell_angle_gamma   70.63210817
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Au2
_chemical_formula_sum   'Sr9 Au6'
_cell_volume   499.63265446
_cell_formula_units_Z   3
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  0.16946143  0.89688867  0.65431641  1.0
  Sr  Sr1  1  0.89688867  0.65431641  0.16946143  1.0
  Sr  Sr2  1  0.65431641  0.16946143  0.89688867  1.0
  Sr  Sr3  1  0.83053857  0.10311133  0.34568359  1.0
  Sr  Sr4  1  0.10311133  0.34568359  0.83053857  1.0
  Sr  Sr5  1  0.34568359  0.83053857  0.10311133  1.0
  Sr  Sr6  1  0.50000000  0.50000000  0.50000000  1.0
  Sr  Sr7  1  0.30067125  0.30067225  0.30067125  1.0
  Sr  Sr8  1  0.69932875  0.69932775  0.69932875  1.0
  Au  Au9  1  0.54564716  0.90886446  0.34179441  1.0
  Au  Au10  1  0.90886446  0.34179441  0.54564716  1.0
  Au  Au11  1  0.34179441  0.54564716  0.90886446  1.0
  Au  Au12  1  0.45435284  0.09113554  0.65820559  1.0
  Au  Au13  1  0.09113554  0.65820559  0.45435284  1.0
  Au  Au14  1  0.65820559  0.45435284  0.09113554  1.0
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