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Sr3Bi2

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1013587 · Space group: Pm-3m (#221)

Materials Project API

Basic Information

Formula
Sr3Bi2
MP-ID
mp-1013587
Elements
2
Sites
5
Density
4.6420
g/cm³
Volume
243.55
ų
Cell a
6.2449
Å
Cell b
6.2449
Å
Cell c
6.2449
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cP
Stability
No
Packing Fraction
0.5236

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
14.18 6.2449 8.8 (1,0,0)
20.11 4.4158 100.0 (1,1,0)
24.69 3.6055 28.6 (1,1,1)
28.59 3.1225 96.0 (2,0,0)
32.05 2.7928 4.9 (2,1,0)
35.20 2.5495 51.4 (2,1,1)
40.87 2.2079 74.3 (2,2,0)
43.47 2.0816 2.6 (2,2,1)
45.96 1.9748 25.1 (3,1,0)
48.34 1.8829 13.7 (3,1,1)
50.64 1.8028 26.7 (2,2,2)
52.86 1.7320 1.2 (3,2,0)
55.02 1.6690 29.9 (3,2,1)
59.18 1.5612 12.6 (4,0,0)
61.19 1.5146 1.5 (4,1,0)
63.17 1.4719 15.0 (4,1,1)
65.11 1.4327 5.6 (3,3,1)
67.02 1.3964 35.1 (4,2,0)
68.90 1.3628 1.0 (4,2,1)
70.76 1.3314 7.3 (3,3,2)
74.42 1.2747 26.3 (4,2,2)
78.02 1.2247 17.1 (4,3,1)
79.80 1.2018 4.2 (5,1,1)
85.09 1.1402 9.4 (5,2,1)
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Energy Properties

Formation Energy/atom
-0.67637
eV/atom
Energy/atom
-33.16467
eV/atom
Energy above Hull
0.3706
eV/atom
Uncorrected Energy
-3.0742
eV/atom
Volume/atom
48.71
ų
c/a Ratio
1.0000

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0007
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

KVRH
22.202
GPa
GVRH
12.053
GPa
Young's Modulus E
30.618
GPa
Poisson Ratio ν
0.270
Pugh Ratio K/G
1.842
Vickers Hardness Est.
1.198
GPa
Ductility
Brittle
Anisotropy
4.035
Lame λ
14.167
GPa

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
0.467
Family
Binary Alloy
Matrix Element
Sr · 0.600

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
4.0350
Homogeneous Poisson ν
0.2700
Debye Temperature
172.0
K
Sound Velocity
1,793.2
m/s
Homogeneity
0.2700

Related Tasks

Related computation task IDs (5)
aaadohhv aaadvqln aaadxcot aaaepgmm aaafbbfd

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1013587
Reference Citation

The crystal structure and related material properties of Sr3Bi2 were obtained from the Materials Project database (MP-ID: mp-1013587, 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_Sr3Bi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24492100
_cell_length_b   6.24492100
_cell_length_c   6.24492100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Bi2
_chemical_formula_sum   'Sr3 Bi2'
_cell_volume   243.54591324
_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
  Sr  Sr0  1  0.00000000  0.50000000  0.50000000  1.0
  Sr  Sr1  1  0.50000000  0.00000000  0.50000000  1.0
  Sr  Sr2  1  0.50000000  0.50000000  0.00000000  1.0
  Bi  Bi3  1  0.00000000  0.00000000  0.00000000  1.0
  Bi  Bi4  1  0.50000000  0.50000000  0.50000000  1.0
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