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Mg(PtO2)3

Elasticity Data ELA

MP-ID: mp-8208 · Space group: Cmmm (#65)

Basic Information

Formula
Mg(PtO2)3
MP-ID
mp-8208
Elements
3
Sites
10
Density
10.4020
g/cm³
Volume
112.63
ų
Cell a
3.1942
Å
Cell b
6.1034
Å
Cell c
6.1034
Å
α Angle
108.81
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Cmmm
Point Group
mmm
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
15.34 5.7774 35.6 (0,1,0)
17.87 4.9631 16.8 (0,1,-1)
25.07 3.5524 9.1 (0,1,1)
27.93 3.1942 3.1 (1,0,0)
29.79 2.9994 10.9 (0,2,-1)
30.96 2.8887 100.0 (0,2,0)
32.02 2.7954 20.3 (1,1,0)
33.36 2.6860 86.7 (1,1,-1)
36.20 2.4816 24.2 (0,2,-2)
37.88 2.3752 43.3 (1,1,1)
39.10 2.3036 2.1 (0,2,1)
41.29 2.1865 4.2 (1,2,-1)
42.18 2.1425 6.0 (1,2,0)
44.54 2.0343 2.0 (0,3,-1)
46.33 1.9597 3.8 (1,2,-2)
47.20 1.9258 4.5 (0,3,0)
47.56 1.9120 2.2 (0,3,-2)
48.74 1.8684 4.1 (1,2,1)
51.45 1.7762 15.4 (0,2,2)
53.40 1.7159 57.0 (1,3,-1)
54.90 1.6723 1.8 (0,3,1)
55.74 1.6492 3.1 (1,3,0)
56.06 1.6405 2.7 (1,3,-2)
57.72 1.5971 11.5 (2,0,0)
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Energy Properties

Formation Energy/atom
-1.37660
eV/atom
Energy/atom
-6.32976
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-20.5850
eV/atom
Volume/atom
11.26
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
0.298
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
187.744
GPa
GVRH
69.992
GPa
Young's Modulus E
186.767
GPa
Poisson Ratio ν
0.334
Pugh Ratio K/G
2.682
Vickers Hardness Est.
4.569
GPa
Ductility
Brittle
Anisotropy
1.290
Lame λ
141.083
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
1.2900
Homogeneous Poisson ν
0.3340
Debye Temperature
405.7
K
Sound Velocity
2,910.3
m/s
Homogeneity
0.3340

Related Tasks

Related computation task IDs (4)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-8208
Reference Citation

The crystal structure and related material properties of Mg(PtO2)3 were obtained from the Materials Project database (MP-ID: mp-8208, 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_Mg(PtO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19415951
_cell_length_b   6.10343674
_cell_length_c   6.10343689
_cell_angle_alpha   108.81234544
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg(PtO2)3
_chemical_formula_sum   'Mg1 Pt3 O6'
_cell_volume   112.63224451
_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
  Mg  Mg0  1  -0.00000000  0.50000000  0.50000000  1.0
  Pt  Pt1  1  0.50000000  0.50000000  -0.00000000  1.0
  Pt  Pt2  1  0.00000000  -0.00000000  -0.00000000  1.0
  Pt  Pt3  1  0.50000000  -0.00000000  0.50000000  1.0
  O  O4  1  0.00000000  0.91412690  0.65977322  1.0
  O  O5  1  0.00000000  0.08587310  0.34022678  1.0
  O  O6  1  0.00000000  0.65977322  0.91412690  1.0
  O  O7  1  0.00000000  0.34022678  0.08587310  1.0
  O  O8  1  0.50000000  0.35220263  0.64779737  1.0
  O  O9  1  0.50000000  0.64779737  0.35220263  1.0
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