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ScBiO3

Elasticity Data ELA

MP-ID: mp-754009 · Space group: R3c (#161)

Basic Information

Formula
ScBiO3
MP-ID
mp-754009
Elements
3
Sites
10
Density
7.0847
g/cm³
Volume
141.54
ų
Cell a
5.9184
Å
Cell b
5.9184
Å
Cell c
5.9184
Å
α Angle
58.49
°
β Angle
58.49
°
γ Angle
58.49
°
Space Group
R3c
Point Group
3m
Crystal System
Trigonal
Bravais Lattice
Trigonal R
Stability
No
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
21.49 4.1352 100.0 (1,1,0)
30.22 2.9577 90.4 (2,1,1)
30.93 2.8916 57.7 (1,0,-1)
30.93 2.8916 28.9 (1,-1,0)
36.09 2.4885 2.0 (2,1,0)
36.78 2.4434 10.2 (2,2,2)
37.97 2.3697 34.0 (2,0,0)
43.78 2.0676 13.3 (2,2,0)
43.78 2.0676 26.5 (2,0,2)
48.80 1.8663 14.2 (3,2,1)
48.80 1.8663 28.3 (3,1,2)
49.75 1.8328 15.5 (2,1,-1)
49.75 1.8328 7.8 (2,-1,1)
53.23 1.7209 5.5 (3,3,2)
53.23 1.7209 11.1 (3,2,3)
54.56 1.6819 39.0 (3,1,0)
55.00 1.6694 7.5 (1,1,-2)
55.00 1.6694 15.0 (2,-1,-1)
62.84 1.4788 4.9 (4,2,2)
62.84 1.4788 2.5 (2,2,4)
64.45 1.4458 8.8 (2,0,-2)
64.45 1.4458 4.4 (2,-2,0)
66.45 1.4070 11.2 (4,3,3)
68.01 1.3784 13.5 (3,3,0)
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Energy Properties

Formation Energy/atom
-2.78380
eV/atom
Energy/atom
-7.79707
eV/atom
Energy above Hull
0.0214
eV/atom
Uncorrected Energy
-7.3849
eV/atom
Volume/atom
14.15
ų
c/a Ratio
1.0000

Electronic Properties

Metallic
Non-metal
Band Gap
3.086
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0001
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

KVRH
96.558
GPa
GVRH
39.586
GPa
Young's Modulus E
104.480
GPa
Poisson Ratio ν
0.320
Pugh Ratio K/G
2.439
Vickers Hardness Est.
3.061
GPa
Ductility
Brittle
Anisotropy
1.378
Lame λ
70.167
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.600
Element Family
Metalloid-Nonmetal
Solute Fraction
0.400
Interstitial Fraction
0.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
1.3780
Homogeneous Poisson ν
0.3200
Debye Temperature
345.0
K
Sound Velocity
2,647.0
m/s
Homogeneity
0.3200

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-754009
Reference Citation

The crystal structure and related material properties of ScBiO3 were obtained from the Materials Project database (MP-ID: mp-754009, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_ScBiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91843586
_cell_length_b   5.91843586
_cell_length_c   5.91843565
_cell_angle_alpha   58.49293785
_cell_angle_beta   58.49293785
_cell_angle_gamma   58.49293269
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBiO3
_chemical_formula_sum   'Sc2 Bi2 O6'
_cell_volume   141.53653537
_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
  Sc  Sc0  1  0.77948000  0.77948000  0.77948000  1.0
  Sc  Sc1  1  0.27948000  0.27948000  0.27948000  1.0
  Bi  Bi2  1  0.99423100  0.99423100  0.99423100  1.0
  Bi  Bi3  1  0.49423100  0.49423100  0.49423100  1.0
  O  O4  1  0.12124600  0.57259200  0.95402600  1.0
  O  O5  1  0.07259200  0.62124600  0.45402600  1.0
  O  O6  1  0.45402600  0.07259200  0.62124600  1.0
  O  O7  1  0.95402600  0.12124600  0.57259200  1.0
  O  O8  1  0.57259200  0.95402600  0.12124600  1.0
  O  O9  1  0.62124600  0.45402600  0.07259200  1.0
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