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SrTa2Bi2O9

Elasticity Data ELA

MP-ID: mp-23089 · Space group: Cmc2_1 (#36)

Basic Information

Formula
SrTa2Bi2O9
MP-ID
mp-23089
Elements
4
Sites
28
Density
8.7617
g/cm³
Volume
383.39
ų
Cell a
5.5378
Å
Cell b
5.5355
Å
Cell c
12.8095
Å
α Angle
102.48
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Cmc2_1
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic C
Stability
Yes
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
7.07 12.5070 5.1 (0,0,1)
19.25 4.6117 2.3 (0,1,-2)
21.31 4.1690 6.7 (0,0,3)
22.99 3.8679 16.2 (1,1,-1)
23.98 3.7116 1.9 (0,1,-3)
25.13 3.5438 28.9 (1,1,-2)
28.55 3.1267 15.6 (0,0,4)
28.96 3.0832 100.0 (1,1,-3)
28.96 3.0832 100.0 (1,1,2)
32.33 2.7689 32.2 (2,0,0)
32.35 2.7677 38.7 (0,2,-1)
33.14 2.7034 9.2 (2,0,1)
33.97 2.6393 6.8 (1,1,-4)
35.46 2.5318 1.0 (2,0,2)
35.90 2.5014 21.1 (0,0,5)
36.29 2.4758 1.4 (1,2,-1)
37.02 2.4286 2.4 (1,2,-2)
37.90 2.3739 1.0 (2,1,-2)
39.05 2.3065 1.5 (2,0,3)
39.77 2.2663 6.3 (1,1,-5)
43.41 2.0845 1.5 (0,0,6)
43.67 2.0729 8.6 (2,0,4)
43.68 2.0724 4.0 (0,2,-5)
43.68 2.0724 4.0 (0,2,3)
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Energy Properties

Formation Energy/atom
-2.83790
eV/atom
Energy/atom
-8.39061
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-7.9490
eV/atom
Volume/atom
13.69
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
2.514
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
86.266
GPa
GVRH
65.455
GPa
Young's Modulus E
156.726
GPa
Poisson Ratio ν
0.197
Pugh Ratio K/G
1.318
Vickers Hardness Est.
13.714
GPa
Ductility
Ductile
Anisotropy
0.336
Lame λ
42.629
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.643
Element Family
Metalloid-Nonmetal
Solute Fraction
0.357
Interstitial Fraction
0.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.3360
Homogeneous Poisson ν
0.1970
Debye Temperature
409.3
K
Sound Velocity
3,016.5
m/s
Homogeneity
0.1970

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-23089
Reference Citation

The crystal structure and related material properties of SrTa2Bi2O9 were obtained from the Materials Project database (MP-ID: mp-23089, database version v2026.09.28).

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_SrTa2Bi2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53780908
_cell_length_b   5.53548553
_cell_length_c   12.80953138
_cell_angle_alpha   102.47825508
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTa2Bi2O9
_chemical_formula_sum   'Sr2 Ta4 Bi4 O18'
_cell_volume   383.39369099
_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
  Sr  Sr0  1  0.01436004  0.74905282  0.00000000  1.0
  Sr  Sr1  1  0.51436004  0.25094718  -0.00000000  1.0
  Ta  Ta2  1  0.01803803  0.33211325  0.16778117  1.0
  Ta  Ta3  1  0.51803803  0.83566892  0.16778117  1.0
  Ta  Ta4  1  0.01803803  0.16433108  0.83221883  1.0
  Ta  Ta5  1  0.51803803  0.66788675  0.83221883  1.0
  Bi  Bi6  1  0.93496312  0.97928742  0.39973929  1.0
  Bi  Bi7  1  0.43496312  0.02071258  0.60026071  1.0
  Bi  Bi8  1  0.43496312  0.42045187  0.39973929  1.0
  Bi  Bi9  1  0.93496312  0.57954813  0.60026071  1.0
  O  O10  1  0.79749479  0.60298823  0.16929819  1.0
  O  O11  1  0.29749479  0.39701177  0.83070181  1.0
  O  O12  1  0.29749479  0.56631096  0.16929819  1.0
  O  O13  1  0.79749479  0.43368904  0.83070181  1.0
  O  O14  1  0.76975632  0.07959042  0.13555339  1.0
  O  O15  1  0.26975632  0.92040958  0.86444761  1.0
  O  O16  1  0.26975632  0.05596198  0.13555339  1.0
  O  O17  1  0.76975632  0.94403802  0.86444761  1.0
  O  O18  1  0.71686956  0.26614781  0.50178262  1.0
  O  O19  1  0.21686956  0.73385219  0.49821738  1.0
  O  O20  1  0.53481873  0.70539887  0.00000000  1.0
  O  O21  1  0.03481873  0.29460113  -0.00000000  1.0
  O  O22  1  0.53679030  0.97543188  0.31467698  1.0
  O  O23  1  0.03679030  0.02456812  0.68532302  1.0
  O  O24  1  0.03679030  0.33924411  0.31467698  1.0
  O  O25  1  0.53679030  0.66075589  0.68532302  1.0
  O  O26  1  0.71686956  0.76436419  0.49821738  1.0
  O  O27  1  0.21686956  0.23563581  0.50178262  1.0
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