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Sr4Bi2O

Elasticity Data ELA

MP-ID: mp-1025351 · Space group: I4/mmm (#139)

Materials Project API

Basic Information

Formula
Sr4Bi2O
MP-ID
mp-1025351
Elements
3
Sites
7
Density
5.8421
g/cm³
Volume
222.97
ų
Cell a
5.0353
Å
Cell b
5.0353
Å
Cell c
9.4875
Å
α Angle
105.39
°
β Angle
105.39
°
γ Angle
90.00
°
Space Group
I4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tI
Stability
No
Packing Fraction
-

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
10.06 8.7940 1.4 (0,0,1)
18.33 4.8408 23.4 (1,0,0)
20.20 4.3970 15.0 (0,0,2)
23.29 3.8198 21.6 (1,0,1)
25.01 3.5605 43.6 (1,-1,0)
27.02 3.3003 30.4 (1,1,0)
27.02 3.3003 10.1 (1,1,-2)
30.50 2.9313 24.3 (0,0,3)
31.01 2.8837 16.6 (1,0,2)
32.35 2.7671 100.0 (1,1,1)
35.66 2.5177 58.7 (2,0,-1)
39.83 2.2631 7.2 (1,1,2)
40.11 2.2482 6.5 (1,0,3)
40.11 2.2482 6.5 (1,0,-4)
40.38 2.2336 7.2 (2,1,-1)
41.05 2.1985 5.7 (0,0,4)
41.32 2.1849 10.4 (2,0,1)
43.03 2.1021 9.2 (2,1,0)
47.61 1.9099 28.0 (2,0,2)
47.97 1.8965 9.8 (2,1,1)
51.32 1.7803 20.8 (2,-2,0)
54.74 1.6769 5.5 (2,1,2)
54.74 1.6769 5.5 (2,-1,-4)
55.49 1.6560 4.7 (2,0,3)
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Energy Properties

Formation Energy/atom
-1.56263
eV/atom
Energy/atom
-4.34802
eV/atom
Energy above Hull
0.0021
eV/atom
Uncorrected Energy
-27.8997
eV/atom
Volume/atom
31.85
ų
c/a Ratio
1.8842

Electronic Properties

Metallic
Non-metal
Band Gap
0.881
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
37.730
GPa
GVRH
25.111
GPa
Young's Modulus E
61.655
GPa
Poisson Ratio ν
0.228
Pugh Ratio K/G
1.503
Vickers Hardness Est.
5.186
GPa
Ductility
Ductile
Anisotropy
0.143
Lame λ
20.989
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sr · 0.571
Element Family
Alkali-AlkEarth
Solute Fraction
0.429
Interstitial Fraction
0.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.1430
Homogeneous Poisson ν
0.2280
Debye Temperature
265.9
K
Sound Velocity
2,295.8
m/s
Homogeneity
0.2280

Related Tasks

Related computation task IDs (5)
aaadpebp aaaduqvc aaaekvcr aaaepiln aaafbfqc

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1025351
Reference Citation

The crystal structure and related material properties of Sr4Bi2O were obtained from the Materials Project database (MP-ID: mp-1025351, 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_Sr4Bi2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03531068
_cell_length_b   5.03531068
_cell_length_c   9.48746372
_cell_angle_alpha   105.38872679
_cell_angle_beta   105.38872679
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr4Bi2O
_chemical_formula_sum   'Sr4 Bi2 O1'
_cell_volume   222.96671281
_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  0.16673654  0.16673654  0.33347308  1.0
  Sr  Sr1  1  0.83326346  0.83326346  0.66652692  1.0
  Sr  Sr2  1  -0.00000000  0.50000000  -0.00000000  1.0
  Sr  Sr3  1  0.50000000  -0.00000000  0.00000000  1.0
  Bi  Bi4  1  0.36095106  0.36095106  0.72190112  1.0
  Bi  Bi5  1  0.63904894  0.63904894  0.27809888  1.0
  O  O6  1  -0.00000000  -0.00000000  0.00000000  1.0
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