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Hf3SnO8

Elasticity Data ELA

MP-ID: mp-761842 · Space group: P2 (#3)

Basic Information

Formula
Hf3SnO8
MP-ID
mp-761842
Elements
3
Sites
12
Density
8.7209
g/cm³
Volume
148.93
ų
Cell a
5.7787
Å
Cell b
4.9078
Å
Cell c
5.2515
Å
α Angle
89.63
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P2
Point Group
2
Crystal System
Monoclinic
Bravais Lattice
Monoclinic P
Stability
No
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
15.33 5.7787 2.3 (1,0,0)
16.88 5.2514 1.7 (0,0,1)
18.08 4.9077 1.5 (0,1,0)
22.88 3.8864 1.5 (1,0,1)
23.79 3.7407 48.9 (1,1,0)
29.24 3.0539 100.0 (1,1,1)
29.38 3.0396 99.2 (1,1,-1)
30.95 2.8894 17.2 (2,0,0)
34.15 2.6257 33.4 (0,0,2)
35.46 2.5315 38.5 (2,0,1)
36.62 2.4538 23.0 (0,2,0)
39.01 2.3089 1.8 (0,1,-2)
40.02 2.2527 3.2 (2,1,1)
41.94 2.1541 9.4 (1,1,2)
42.15 2.1441 9.4 (1,1,-2)
46.75 1.9432 14.1 (2,0,2)
48.68 1.8704 13.2 (2,2,0)
50.76 1.7987 16.8 (0,2,2)
50.93 1.7931 27.7 (3,1,0)
51.11 1.7870 16.6 (0,2,-2)
51.81 1.7647 20.4 (2,2,1)
51.98 1.7592 20.1 (2,2,-1)
54.00 1.6981 1.0 (3,1,1)
54.08 1.6957 1.0 (3,1,-1)
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Energy Properties

Formation Energy/atom
-3.51574
eV/atom
Energy/atom
-9.63781
eV/atom
Energy above Hull
0.0260
eV/atom
Uncorrected Energy
-9.1798
eV/atom
Volume/atom
12.41
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
3.588
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0010
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų

Elastic Properties

KVRH
182.505
GPa
GVRH
77.664
GPa
Young's Modulus E
204.048
GPa
Poisson Ratio ν
0.314
Pugh Ratio K/G
2.350
Vickers Hardness Est.
6.390
GPa
Ductility
Brittle
Anisotropy
0.600
Lame λ
130.729
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.667
Element Family
Metalloid-Nonmetal
Solute Fraction
0.333
Interstitial Fraction
0.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.6000
Homogeneous Poisson ν
0.3140
Debye Temperature
455.6
K
Sound Velocity
3,339.1
m/s
Homogeneity
0.3140

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-761842
Reference Citation

The crystal structure and related material properties of Hf3SnO8 were obtained from the Materials Project database (MP-ID: mp-761842, 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_Hf3SnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77872000
_cell_length_b   4.90778800
_cell_length_c   5.25148408
_cell_angle_alpha   89.62733092
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3SnO8
_chemical_formula_sum   'Hf3 Sn1 O8'
_cell_volume   148.93278581
_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
  Hf  Hf0  1  0.18025400  0.00000000  0.50000000  1.0
  Hf  Hf1  1  0.67816500  0.50000000  0.50000000  1.0
  Hf  Hf2  1  0.32481900  0.50000000  0.00000000  1.0
  Sn  Sn3  1  0.82877800  0.00000000  0.00000000  1.0
  O  O4  1  0.89115200  0.77439600  0.67132700  1.0
  O  O5  1  0.10656900  0.77325100  0.17479800  1.0
  O  O6  1  0.39138900  0.72141400  0.67050100  1.0
  O  O7  1  0.60488100  0.72800300  0.17130800  1.0
  O  O8  1  0.60488100  0.27199700  0.82869200  1.0
  O  O9  1  0.39138900  0.27858600  0.32949900  1.0
  O  O10  1  0.89115200  0.22560400  0.32867300  1.0
  O  O11  1  0.10656900  0.22674900  0.82520200  1.0
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