Sr2B8Ru7

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-649084 · Space group: P4_2/m (#84)

Materials Project API

Basic Information

Formula

Sr2B8Ru7

MP-ID

mp-649084

Elements

Sites

Density

7.6228

g/cm³

Volume

422.27

Å³

Cell a

6.4405

Cell b

6.4405

Cell c

10.1802

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4_2/m

Point Group

4/m

Crystal System

Tetragonal

Bravais Lattice

Stability

Yes

Packing Fraction

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
13.75	6.4405	4.5	(1,0,0)
17.42	5.0901	8.1	(0,0,2)
22.26	3.9935	1.7	(1,0,2)
27.70	3.2202	3.1	(2,0,0)
29.08	3.0703	20.8	(2,0,1)
29.76	3.0022	1.4	(1,0,3)
31.05	2.8803	17.8	(2,1,0)
32.30	2.7715	18.9	(2,1,1)
32.91	2.7214	2.4	(2,0,2)
35.27	2.5450	41.8	(0,0,4)
35.82	2.5068	100.0	(2,1,2)
38.54	2.3359	9.0	(2,0,3)
40.60	2.2221	2.5	(2,2,1)
41.11	2.1959	14.0	(2,1,3)
43.06	2.1006	1.7	(3,0,1)
43.54	2.0785	1.7	(2,2,2)
44.48	2.0367	14.6	(3,1,0)
45.42	1.9967	2.6	(2,0,4)
47.68	1.9072	15.3	(2,1,4)
48.12	1.8909	31.3	(3,1,2)
48.12	1.8908	1.1	(2,2,3)
50.29	1.8142	2.0	(3,0,3)
51.14	1.7863	2.0	(3,2,0)
51.98	1.7594	1.9	(3,2,1)

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Energy Properties

Formation Energy/atom

-0.42372

eV/atom

Energy/atom

-16.13160

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-16.1316

eV/atom

Volume/atom

12.42

Å³

c/a Ratio

1.5807

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

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

B · 0.471

Element Family

Metalloid-Nonmetal

Solute Fraction

0.529

Interstitial Fraction

0.471

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9718

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.0800

J/mol·K

Ω Parameter

1.9833

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

29.276%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3827

smaller = more stable mixing

VEC

4.941

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-9.380

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8846

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.503

Family

B-rich Multi-Component

Matrix Element

B · 0.471

Related Tasks

Related computation task IDs (5)

aaadqeao aaadvujn aaaepmwj aaafazah aaafzzxu

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-649084

Reference Citation

The crystal structure and related material properties of Sr2B8Ru7 were obtained from the Materials Project database (MP-ID: mp-649084, 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…

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Raw CIF Data

# generated using pymatgen
data_Sr2B8Ru7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44045654
_cell_length_b   6.44045654
_cell_length_c   10.18016686
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2B8Ru7
_chemical_formula_sum   'Sr4 B16 Ru14'
_cell_volume   422.26803218
_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  0.73154265  0.89103293  0.00000000  1.0
  Sr  Sr1  1  0.10896707  0.73154265  0.50000000  1.0
  Sr  Sr2  1  0.89103293  0.26845735  0.50000000  1.0
  Sr  Sr3  1  0.26845735  0.10896707  0.00000000  1.0
  B  B4  1  0.50000000  -0.00000000  0.58838314  1.0
  B  B5  1  0.50000000  -0.00000000  0.41161686  1.0
  B  B6  1  0.89701870  0.27573358  0.16986845  1.0
  B  B7  1  0.10298130  0.72426642  0.83013155  1.0
  B  B8  1  0.50000000  0.50000000  0.34117598  1.0
  B  B9  1  0.50000000  0.50000000  0.84117598  1.0
  B  B10  1  0.27573358  0.10298130  0.66986845  1.0
  B  B11  1  0.10298130  0.72426642  0.16986845  1.0
  B  B12  1  0.27573358  0.10298130  0.33013155  1.0
  B  B13  1  0.89701870  0.27573358  0.83013155  1.0
  B  B14  1  0.50000000  0.50000000  0.65882402  1.0
  B  B15  1  0.50000000  0.50000000  0.15882402  1.0
  B  B16  1  -0.00000000  0.50000000  0.91161686  1.0
  B  B17  1  0.72426642  0.89701870  0.66986845  1.0
  B  B18  1  0.72426642  0.89701870  0.33013155  1.0
  B  B19  1  -0.00000000  0.50000000  0.08838314  1.0
  Ru  Ru20  1  0.20585430  0.39473232  0.75653447  1.0
  Ru  Ru21  1  0.40599205  0.28678860  0.50000000  1.0
  Ru  Ru22  1  0.39473232  0.79414570  0.25653447  1.0
  Ru  Ru23  1  0.20585430  0.39473232  0.24346553  1.0
  Ru  Ru24  1  0.59400795  0.71321140  0.50000000  1.0
  Ru  Ru25  1  0.60526768  0.20585430  0.74346553  1.0
  Ru  Ru26  1  0.28678860  0.59400795  0.00000000  1.0
  Ru  Ru27  1  0.71321140  0.40599205  0.00000000  1.0
  Ru  Ru28  1  0.79414570  0.60526768  0.24346553  1.0
  Ru  Ru29  1  0.79414570  0.60526768  0.75653447  1.0
  Ru  Ru30  1  0.39473232  0.79414570  0.74346553  1.0
  Ru  Ru31  1  -0.00000000  -0.00000000  0.25000000  1.0
  Ru  Ru32  1  0.60526768  0.20585430  0.25653447  1.0
  Ru  Ru33  1  -0.00000000  -0.00000000  0.75000000  1.0

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