Sr7Au3

Traditional Materials TRA

MP-ID: mp-30422 · Space group: P6_3mc (#186)

Materials Project API

Basic Information

Formula

Sr7Au3

MP-ID

mp-30422

Elements

Sites

Density

5.1847

g/cm³

Volume

771.38

Å³

Cell a

11.1176

Cell b

11.1176

Cell c

7.2064

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3mc

Point Group

6mm

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
15.36	5.7693	80.9	(1,0,-1,1)
15.94	5.5588	18.9	(2,-1,-1,0)
18.43	4.8141	9.5	(2,0,-2,0)
18.43	4.8141	19.0	(2,-2,0,0)
22.21	4.0030	75.1	(2,0,-2,1)
24.46	3.6391	1.8	(3,-2,-1,0)
24.71	3.6032	17.1	(0,0,0,2)
26.41	3.3746	33.8	(1,0,-1,2)
27.46	3.2484	12.9	(2,1,-3,1)
27.46	3.2484	64.5	(3,-1,-2,1)
27.80	3.2094	12.1	(3,0,-3,0)
27.80	3.2094	24.3	(3,-3,0,0)
29.54	3.0236	15.0	(2,-1,-1,2)
29.54	3.0236	7.5	(1,-2,1,2)
30.49	2.9318	100.0	(3,0,-3,1)
31.00	2.8847	84.4	(2,0,-2,2)
32.21	2.7794	87.5	(4,-2,-2,0)
35.05	2.5604	37.4	(3,-1,-2,2)
35.05	2.5604	18.7	(2,-3,1,2)
35.86	2.5040	20.8	(4,-1,-3,1)
37.36	2.4070	5.8	(4,0,-4,0)
37.36	2.4070	2.9	(4,-4,0,0)
37.53	2.3966	16.3	(3,0,-3,2)
38.63	2.3307	9.1	(1,0,-1,3)

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Energy Properties

Formation Energy/atom

-0.51727

eV/atom

Energy/atom

-26.29472

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-26.2947

eV/atom

Volume/atom

38.57

Å³

c/a Ratio

0.6482

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0002

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sr · 0.700

Element Family

N/A

Solute Fraction

0.300

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.723

Family

Binary Alloy

Matrix Element

Sr · 0.700

Related Tasks

Related computation task IDs (4)

aaadockt aaadvujv aaaemndq aaaeqekk

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30422

Reference Citation

The crystal structure and related material properties of Sr7Au3 were obtained from the Materials Project database (MP-ID: mp-30422, 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

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Raw CIF Data

# generated using pymatgen
data_Sr7Au3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.11758545
_cell_length_b   11.11758452
_cell_length_c   7.20636818
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999656
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr7Au3
_chemical_formula_sum   'Sr14 Au6'
_cell_volume   771.37935206
_cell_formula_units_Z   2
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  0.45789039  0.54210961  0.56875875  1.0
  Sr  Sr1  1  0.91577777  0.45789039  0.06875875  1.0
  Sr  Sr2  1  0.54210961  0.08422223  0.06875875  1.0
  Sr  Sr3  1  0.45789039  0.91577777  0.56875875  1.0
  Sr  Sr4  1  0.08422223  0.54210961  0.56875875  1.0
  Sr  Sr5  1  0.54210961  0.45789039  0.06875875  1.0
  Sr  Sr6  1  0.33333300  0.66666700  0.04098045  1.0
  Sr  Sr7  1  0.66666700  0.33333300  0.54098045  1.0
  Sr  Sr8  1  0.12485908  0.87514092  0.24628564  1.0
  Sr  Sr9  1  0.24972016  0.12485908  0.74628564  1.0
  Sr  Sr10  1  0.87514092  0.75027984  0.74628564  1.0
  Sr  Sr11  1  0.12485908  0.24972016  0.24628564  1.0
  Sr  Sr12  1  0.75027984  0.87514092  0.24628564  1.0
  Sr  Sr13  1  0.87514092  0.12485908  0.74628564  1.0
  Au  Au14  1  0.18834037  0.81165963  0.83329612  1.0
  Au  Au15  1  0.37667974  0.18834037  0.33329612  1.0
  Au  Au16  1  0.81165963  0.62332026  0.33329612  1.0
  Au  Au17  1  0.18834037  0.37667974  0.83329612  1.0
  Au  Au18  1  0.62332026  0.81165963  0.83329612  1.0
  Au  Au19  1  0.81165963  0.18834037  0.33329612  1.0

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