Rb2H6Pt

弹性数据 ELA

MP-ID: mp-643101 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

Rb2H6Pt

MP-ID

mp-643101

Elements

Sites

Density

3.9936

g/cm³

Volume

154.70

Å³

Cell a

6.0257

Cell b

6.0257

Cell c

6.0257

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 15)

2θ	d (Å)	I	hkl
18.03	4.9199	63.7	(1,1,1)
29.65	3.0128	100.0	(2,1,1)
34.92	2.5694	35.8	(2,2,1)
42.43	2.1304	19.5	(2,2,0)
46.45	1.9550	15.9	(3,2,2)
52.62	1.7395	39.8	(3,3,2)
56.08	1.6400	12.7	(3,3,3)
61.56	1.5064	12.7	(4,2,2)
64.72	1.4404	12.4	(4,3,2)
69.80	1.3474	17.5	(4,3,1)
72.77	1.2995	4.4	(4,4,3)
77.62	1.2300	4.3	(4,4,4)
80.49	1.1933	6.8	(5,3,3)
85.22	1.1388	20.9	(5,4,3)
88.04	1.1094	8.3	(5,4,4)

Get direct link

Energy Properties

Formation Energy/atom

-0.37953

eV/atom

Energy/atom

-3.53544

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-11.5895

eV/atom

Volume/atom

17.19

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Non-metal

Band Gap

4.063

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

13.624

GPa

G_VRH

8.420

GPa

Young's Modulus E

20.945

GPa

Poisson Ratio ν

0.244

Pugh Ratio K/G

1.618

Vickers Hardness Est.

0.961

GPa

Ductility

Ductile

Anisotropy

0.006

Lame λ

8.011

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

0.0060

Homogeneous Poisson ν

0.2440

Debye Temperature

230.4

Sound Velocity

1,610.8

m/s

Homogeneity

0.2440

Related Tasks

Related computation task IDs (7)

aaacmyzr aaadmoaz aaadspiw aaaemltm aaaenjhh aaafsaey aaagbnpi

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-643101

Reference Citation

The crystal structure and related material properties of Rb2H6Pt were obtained from the Materials Project database (MP-ID: mp-643101, 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

Loading 3D structure…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Rb2H6Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02567538
_cell_length_b   6.02567538
_cell_length_c   6.02567538
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb2H6Pt
_chemical_formula_sum   'Rb2 H6 Pt1'
_cell_volume   154.70423242
_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
  Rb  Rb0  1  0.75000000  0.75000000  0.75000000  1.0
  Rb  Rb1  1  0.25000000  0.25000000  0.25000000  1.0
  H  H2  1  0.19269466  0.80730534  0.80730534  1.0
  H  H3  1  0.19269466  0.19269466  0.80730534  1.0
  H  H4  1  0.19269466  0.80730534  0.19269466  1.0
  H  H5  1  0.80730534  0.19269466  0.19269466  1.0
  H  H6  1  0.80730534  0.80730534  0.19269466  1.0
  H  H7  1  0.80730534  0.19269466  0.80730534  1.0
  Pt  Pt8  1  0.00000000  0.00000000  -0.00000000  1.0

Get direct link