Be7B3Ru4

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3295395 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Be7B3Ru4

MP-ID

mp-3295395

Elements

Sites

Density

6.7492

g/cm³

Volume

122.97

Å³

Cell a

5.5579

Cell b

5.5565

Cell c

5.8048

α Angle

98.35

β Angle

98.84

γ Angle

44.03

Space Group

Point Group

Crystal System

Triclinic

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
17.44	5.0846	13.6	(1,1,0)
21.42	4.1492	1.1	(1,1,-1)
23.06	3.8573	40.3	(0,1,0)
23.08	3.8532	39.3	(1,0,0)
26.94	3.3090	100.0	(1,0,-1)
27.21	3.2771	89.4	(0,1,-1)
28.54	3.1273	8.9	(0,1,1)
28.84	3.0961	5.8	(1,0,1)
31.23	2.8643	58.1	(0,0,2)
33.34	2.6877	37.1	(1,1,-2)
34.07	2.6313	9.6	(1,2,0)
34.12	2.6274	8.2	(2,1,0)
35.30	2.5423	88.9	(2,2,0)
35.66	2.5177	19.9	(2,1,-1)
35.84	2.5058	14.0	(1,2,-1)
38.48	2.3395	51.8	(1,1,2)
39.33	2.2909	47.5	(1,2,1)
39.58	2.2769	43.6	(2,1,1)
40.15	2.2460	16.4	(0,1,2)
40.57	2.2237	25.3	(1,0,2)
43.44	2.0831	9.8	(1,-1,0)
43.56	2.0779	14.6	(2,1,-2)
43.63	2.0746	41.9	(2,2,-2)
43.89	2.0626	24.9	(1,2,-2)

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Energy Properties

Formation Energy/atom

-0.39862

eV/atom

Energy/atom

-11.40598

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-11.4060

eV/atom

Volume/atom

8.78

Å³

c/a Ratio

1.0444

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

Be · 0.500

Element Family

Alkali-AlkEarth

Solute Fraction

0.500

Interstitial Fraction

0.214

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0346

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.6017

J/mol·K

Ω Parameter

0.5325

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.627%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2862

smaller = more stable mixing

VEC

3.929

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-32.761

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9417

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.510

Family

Interstitial Alloy

Matrix Element

Be · 0.500

Related Tasks

Related computation task IDs (1)

aaahfmvz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295395

Reference Citation

The crystal structure and related material properties of Be7B3Ru4 were obtained from the Materials Project database (MP-ID: mp-3295395, 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_Be7B3Ru4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55789867
_cell_length_b   5.55652622
_cell_length_c   5.80481511
_cell_angle_alpha   98.34652299
_cell_angle_beta   98.84044282
_cell_angle_gamma   44.03316271
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be7B3Ru4
_chemical_formula_sum   'Be7 B3 Ru4'
_cell_volume   122.96726199
_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
  Be  Be0  1  0.75220867  0.05607841  0.42329983  1.0
  Be  Be1  1  0.07401788  0.35532237  0.81238001  1.0
  Be  Be2  1  0.64245114  0.91869155  0.69205958  1.0
  Be  Be3  1  0.93273491  0.63649009  0.18345259  1.0
  Be  Be4  1  0.34566752  0.08508609  0.31339870  1.0
  Be  Be5  1  0.83889745  0.16705819  0.75696843  1.0
  Be  Be6  1  0.17734666  0.82358151  0.24609356  1.0
  B  B7  1  0.06146353  0.74205815  0.92322985  1.0
  B  B8  1  0.24072252  0.94271692  0.57168601  1.0
  B  B9  1  0.93572291  0.25842064  0.07799322  1.0
  Ru  Ru10  1  0.23574577  0.54232662  0.57673552  1.0
  Ru  Ru11  1  0.45187259  0.77323395  0.93681794  1.0
  Ru  Ru12  1  0.76776976  0.46664760  0.43108025  1.0
  Ru  Ru13  1  0.54337867  0.23228790  0.05480551  1.0

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