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SrNb2O4

Elasticity Data ELA

MP-ID: mp-768342 · Space group: Pbcm (#57)

Basic Information

Formula
SrNb2O4
MP-ID
mp-768342
Elements
3
Sites
28
Density
5.8696
g/cm³
Volume
381.85
ų
Cell a
5.1265
Å
Cell b
5.9202
Å
Cell c
12.5816
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pbcm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic P
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
14.08 6.2908 100.0 (0,0,2)
17.30 5.1265 3.0 (1,0,0)
22.37 3.9740 4.3 (1,0,2)
24.03 3.7037 49.5 (1,1,1)
28.37 3.1454 58.0 (0,0,4)
30.19 2.9601 8.1 (0,2,0)
31.43 2.8463 28.6 (1,1,3)
33.42 2.6810 1.0 (1,0,4)
33.46 2.6784 11.9 (0,2,2)
35.00 2.5634 6.3 (1,2,0)
35.01 2.5632 4.3 (2,0,0)
35.75 2.5118 67.7 (1,2,1)
35.75 2.5116 37.1 (2,0,1)
37.90 2.3739 8.0 (1,2,2)
38.95 2.3122 5.8 (2,1,1)
41.28 2.1872 46.4 (1,2,3)
41.28 2.1871 28.8 (2,0,3)
41.91 2.1556 6.6 (0,2,4)
42.85 2.1105 9.1 (1,1,5)
43.14 2.0969 1.4 (0,0,6)
44.14 2.0516 5.0 (2,1,3)
45.66 1.9871 45.3 (1,2,4)
45.66 1.9870 25.2 (2,0,4)
46.89 1.9377 3.2 (2,2,0)
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Energy Properties

Formation Energy/atom
-2.98818
eV/atom
Energy/atom
-8.94345
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-15.4538
eV/atom
Volume/atom
13.64
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
1.154
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0000
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

KVRH
147.015
GPa
GVRH
72.302
GPa
Young's Modulus E
186.356
GPa
Poisson Ratio ν
0.289
Pugh Ratio K/G
2.033
Vickers Hardness Est.
7.667
GPa
Ductility
Brittle
Anisotropy
1.998
Lame λ
98.814
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.571
Element Family
Metalloid-Nonmetal
Solute Fraction
0.429
Interstitial Fraction
0.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
1.9980
Homogeneous Poisson ν
0.2890
Debye Temperature
595.0
K
Sound Velocity
3,914.7
m/s
Homogeneity
0.2890

Related Tasks

Related computation task IDs (2)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-768342
Reference Citation

The crystal structure and related material properties of SrNb2O4 were obtained from the Materials Project database (MP-ID: mp-768342, 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_SrNb2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12647151
_cell_length_b   5.92015555
_cell_length_c   12.58161869
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNb2O4
_chemical_formula_sum   'Sr4 Nb8 O16'
_cell_volume   381.84594667
_cell_formula_units_Z   4
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  0.30272454  0.25000000  0.00351922  1.0
  Sr  Sr1  1  0.30272454  0.75000000  0.49648078  1.0
  Sr  Sr2  1  0.69727546  0.25000000  0.50351922  1.0
  Sr  Sr3  1  0.69727546  0.75000000  0.99648078  1.0
  Nb  Nb4  1  0.15580811  -0.00000000  0.25000000  1.0
  Nb  Nb5  1  0.15580811  0.50000000  0.25000000  1.0
  Nb  Nb6  1  0.34156695  0.25000000  0.74718231  1.0
  Nb  Nb7  1  0.34156695  0.75000000  0.75281769  1.0
  Nb  Nb8  1  0.65843305  0.25000000  0.24718231  1.0
  Nb  Nb9  1  0.65843305  0.75000000  0.25281769  1.0
  Nb  Nb10  1  0.84419189  -0.00000000  0.75000000  1.0
  Nb  Nb11  1  0.84419189  0.50000000  0.75000000  1.0
  O  O12  1  0.01119503  0.25000000  0.64528913  1.0
  O  O13  1  0.01119503  0.75000000  0.85471087  1.0
  O  O14  1  0.01032872  0.25000000  0.85168253  1.0
  O  O15  1  0.01032872  0.75000000  0.64831747  1.0
  O  O16  1  0.49194543  0.50440216  0.14359675  1.0
  O  O17  1  0.49194543  0.99559784  0.14359675  1.0
  O  O18  1  0.49194543  0.00440216  0.35640325  1.0
  O  O19  1  0.49194543  0.49559784  0.35640325  1.0
  O  O20  1  0.50805457  0.50440216  0.64359675  1.0
  O  O21  1  0.50805457  0.00440216  0.85640325  1.0
  O  O22  1  0.50805457  0.49559784  0.85640325  1.0
  O  O23  1  0.50805457  0.99559784  0.64359675  1.0
  O  O24  1  0.98967128  0.75000000  0.14831747  1.0
  O  O25  1  0.98967128  0.25000000  0.35168253  1.0
  O  O26  1  0.98880497  0.25000000  0.14528913  1.0
  O  O27  1  0.98880497  0.75000000  0.35471087  1.0
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