K2H6Pt

弹性数据 ELA

MP-ID: mp-643279 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

K2H6Pt

MP-ID

mp-643279

Elements

Sites

Density

3.4654

g/cm³

Volume

133.85

Å³

Cell a

5.7417

Cell b

5.7417

Cell c

5.7417

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

Stability

Yes

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 19)

2θ	d (Å)	I	hkl
18.93	4.6881	100.0	(1,1,1)
21.89	4.0600	17.0	(1,1,0)
31.15	2.8709	86.8	(2,1,1)
36.71	2.4483	55.4	(2,2,1)
38.40	2.3441	5.0	(2,2,2)
44.64	2.0300	16.6	(2,2,0)
48.89	1.8629	24.3	(3,2,2)
50.25	1.8157	8.7	(3,2,1)
55.43	1.6575	32.6	(3,3,2)
59.12	1.5627	19.2	(3,3,3)
64.97	1.4354	10.3	(4,2,2)
68.34	1.3725	18.7	(4,3,2)
69.45	1.3533	4.5	(4,3,3)
73.81	1.2839	13.9	(4,3,1)
77.01	1.2383	6.6	(4,4,3)
78.07	1.2241	2.6	(4,4,2)
82.26	1.1720	3.5	(4,4,4)
85.38	1.1370	10.6	(5,3,3)
86.41	1.1261	2.2	(5,3,2)

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Energy Properties

Formation Energy/atom

-0.48153

eV/atom

Energy/atom

-9.84319

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-9.8432

eV/atom

Volume/atom

14.87

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Non-metal

Band Gap

3.998

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

15.531

GPa

G_VRH

9.309

GPa

Young's Modulus E

23.276

GPa

Poisson Ratio ν

0.250

Pugh Ratio K/G

1.668

Vickers Hardness Est.

1.053

GPa

Ductility

Ductile

Anisotropy

0.004

Lame λ

9.325

GPa

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

H · 0.667

Element Family

Alkali-AlkEarth

Solute Fraction

0.333

Interstitial Fraction

0.000

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.0040

Homogeneous Poisson ν

0.2500

Debye Temperature

248.2

Sound Velocity

1,819.6

m/s

Homogeneity

0.2500

Related Tasks

Related computation task IDs (7)

aaadjtkg aaadmtas aaadsvfa aaaembii aaaencny aaafxiko aaagbnza

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-643279

Reference Citation

The crystal structure and related material properties of K2H6Pt were obtained from the Materials Project database (MP-ID: mp-643279, 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

3D Crystal Structure Rendering

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Raw CIF Data

# generated using pymatgen
data_K2H6Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74173613
_cell_length_b   5.74173613
_cell_length_c   5.74173613
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2H6Pt
_chemical_formula_sum   'K2 H6 Pt1'
_cell_volume   133.84886444
_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
  K  K0  1  0.75000000  0.75000000  0.75000000  1.0
  K  K1  1  0.25000000  0.25000000  0.25000000  1.0
  H  H2  1  0.20213780  0.79786220  0.79786220  1.0
  H  H3  1  0.20213780  0.20213780  0.79786220  1.0
  H  H4  1  0.20213780  0.79786220  0.20213780  1.0
  H  H5  1  0.79786220  0.20213780  0.20213780  1.0
  H  H6  1  0.79786220  0.79786220  0.20213780  1.0
  H  H7  1  0.79786220  0.20213780  0.79786220  1.0
  Pt  Pt8  1  0.00000000  -0.00000000  -0.00000000  1.0

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