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ScBe5

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-11277 · Space group: P6/mmm (#191)

Materials Project API

Basic Information

Formula
ScBe5
MP-ID
mp-11277
Elements
2
Sites
6
Density
2.3756
g/cm³
Volume
62.92
ų
Cell a
4.5366
Å
Cell b
4.5366
Å
Cell c
3.5303
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6/mmm
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
Yes
Packing Fraction
0.7405

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 19)
2θd (Å)Ihkl
22.63 3.9288 72.4 (1,0,-1,0)
25.23 3.5303 27.7 (0,0,0,1)
34.15 2.6259 100.0 (1,0,-1,1)
39.74 2.2683 40.9 (2,-1,-1,0)
46.21 1.9644 31.7 (2,0,-2,0)
47.65 1.9083 46.7 (1,1,-2,1)
47.65 1.9083 23.4 (2,-1,-1,1)
51.79 1.7652 12.7 (0,0,0,2)
53.37 1.7165 5.3 (2,0,-2,1)
57.21 1.6101 10.4 (1,0,-1,2)
62.55 1.4849 7.6 (3,-1,-2,0)
67.20 1.3931 15.0 (2,-1,-1,2)
68.56 1.3688 21.6 (3,-1,-2,1)
71.91 1.3130 15.5 (2,0,-2,2)
72.13 1.3096 6.0 (3,0,-3,0)
77.79 1.2278 15.3 (3,0,-3,1)
85.44 1.1363 5.4 (3,-1,-2,2)
85.65 1.1341 8.8 (4,-2,-2,0)
86.29 1.1273 5.5 (1,0,-1,3)
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Energy Properties

Formation Energy/atom
-0.19543
eV/atom
Energy/atom
-4.36701
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-5.7187
eV/atom
Volume/atom
10.49
ų
c/a Ratio
0.7782

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

KVRH
108.626
GPa
GVRH
103.678
GPa
Young's Modulus E
235.963
GPa
Poisson Ratio ν
0.138
Pugh Ratio K/G
1.048
Vickers Hardness Est.
25.610
GPa
Ductility
Ductile
Anisotropy
0.231
Lame λ
39.507
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Be · 0.833
Element Family
N/A
Solute Fraction
0.167
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.712
Family
Binary Alloy
Matrix Element
Be · 0.833

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.2310
Homogeneous Poisson ν
0.1380
Debye Temperature
985.5
K
Sound Velocity
7,247.4
m/s
Homogeneity
0.1380

Related Tasks

Related computation task IDs (5)
aaadmssu aaadspkq aaaeikph aaaeujuv aaafcbaj

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-11277
Reference Citation

The crystal structure and related material properties of ScBe5 were obtained from the Materials Project database (MP-ID: mp-11277, 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…

Style: Ball & Stick
Raw CIF Data 
# generated using pymatgen
data_ScBe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53656047
_cell_length_b   4.53656051
_cell_length_c   3.53031121
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999976
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBe5
_chemical_formula_sum   'Sc1 Be5'
_cell_volume   62.92120584
_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
  Sc  Sc0  1  -0.00000000  -0.00000000  0.00000000  1.0
  Be  Be1  1  0.33333300  0.66666700  0.00000000  1.0
  Be  Be2  1  0.66666700  0.33333300  -0.00000000  1.0
  Be  Be3  1  0.50000000  -0.00000000  0.50000000  1.0
  Be  Be4  1  0.50000000  0.50000000  0.50000000  1.0
  Be  Be5  1  -0.00000000  0.50000000  0.50000000  1.0
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