Navigation

HEAS Data Platform · Materials Science Database

Na2H6Pt

Elasticity Data ELA

MP-ID: mp-690785 · Space group: Fm-3m (#225)

Basic Information

Formula
Na2H6Pt
MP-ID
mp-690785
Elements
3
Sites
9
Density
4.2918
g/cm³
Volume
95.61
ų
Cell a
5.1326
Å
Cell b
5.1326
Å
Cell c
5.1326
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
Cubic F
Stability
Yes
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 16)
2θd (Å)Ihkl
21.20 4.1908 100.0 (1,1,1)
24.53 3.6293 29.8 (1,1,0)
34.96 2.5663 65.1 (2,1,1)
41.25 2.1886 53.5 (2,2,1)
43.17 2.0954 8.0 (2,2,2)
50.28 1.8147 12.4 (2,2,0)
55.15 1.6652 23.0 (3,2,2)
56.72 1.6231 12.6 (3,2,1)
62.71 1.4817 23.9 (3,3,2)
66.99 1.3969 17.5 (3,3,3)
73.85 1.2832 7.6 (4,2,2)
77.85 1.2269 17.3 (4,3,2)
79.17 1.2098 6.4 (4,1,1)
84.40 1.1477 10.4 (4,3,1)
88.29 1.1069 6.5 (4,4,3)
89.58 1.0943 3.9 (4,4,2)
Get direct link

Energy Properties

Formation Energy/atom
-0.43720
eV/atom
Energy/atom
-9.25350
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-9.2535
eV/atom
Volume/atom
10.62
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
3.616
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
22.335
GPa
GVRH
15.848
GPa
Young's Modulus E
38.450
GPa
Poisson Ratio ν
0.213
Pugh Ratio K/G
1.409
Vickers Hardness Est.
3.740
GPa
Ductility
Ductile
Anisotropy
0.003
Lame λ
11.770
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
H · 0.667
Element Family
Alkali-AlkEarth
Solute Fraction
0.333
Interstitial Fraction
0.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.0030
Homogeneous Poisson ν
0.2130
Debye Temperature
290.0
K
Sound Velocity
2,124.5
m/s
Homogeneity
0.2130

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-690785
Reference Citation

The crystal structure and related material properties of Na2H6Pt were obtained from the Materials Project database (MP-ID: mp-690785, 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_Na2H6Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13262784
_cell_length_b   5.13262784
_cell_length_c   5.13262784
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2H6Pt
_chemical_formula_sum   'Na2 H6 Pt1'
_cell_volume   95.61022224
_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
  Na  Na0  1  0.75000000  0.75000000  0.75000000  1.0
  Na  Na1  1  0.25000000  0.25000000  0.25000000  1.0
  H  H2  1  0.22553565  0.77446435  0.77446435  1.0
  H  H3  1  0.22553565  0.22553565  0.77446435  1.0
  H  H4  1  0.22553565  0.77446435  0.22553565  1.0
  H  H5  1  0.77446435  0.22553565  0.22553565  1.0
  H  H6  1  0.77446435  0.77446435  0.22553565  1.0
  H  H7  1  0.77446435  0.22553565  0.77446435  1.0
  Pt  Pt8  1  -0.00000000  0.00000000  -0.00000000  1.0
Get direct link