YbH2

Elasticity Data ELA

MP-ID: mp-634751 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

YbH2

MP-ID

mp-634751

Elements

Sites

Density

9.1630

g/cm³

Volume

31.72

Å³

Cell a

3.5533

Cell b

3.5533

Cell c

3.5533

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 8)

2θ	d (Å)	I	hkl
30.82	2.9013	100.0	(1,1,1)
35.74	2.5126	49.0	(1,1,0)
51.43	1.7767	37.1	(2,1,1)
61.17	1.5151	43.2	(2,2,1)
64.20	1.4506	12.3	(2,2,2)
75.71	1.2563	5.9	(2,2,0)
83.93	1.1529	18.1	(3,2,2)
86.64	1.1237	16.7	(3,2,1)

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Energy Properties

Formation Energy/atom

-0.79973

eV/atom

Energy/atom

-15.27960

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-15.2796

eV/atom

Volume/atom

10.57

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Non-metal

Band Gap

0.002

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

48.082

GPa

G_VRH

33.752

GPa

Young's Modulus E

82.056

GPa

Poisson Ratio ν

0.216

Pugh Ratio K/G

1.425

Vickers Hardness Est.

7.358

GPa

Ductility

Ductile

Anisotropy

0.036

Lame λ

25.581

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 A^U

0.0360

Homogeneous Poisson ν

0.2160

Homogeneity

0.2160

Related Tasks

Related computation task IDs (5)

aaadmpdf aaadsbgm aaaeuisw aaafcawt aaahbbca

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-634751

Reference Citation

The crystal structure and related material properties of YbH2 were obtained from the Materials Project database (MP-ID: mp-634751, 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_YbH2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.55332651
_cell_length_b   3.55332651
_cell_length_c   3.55332651
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbH2
_chemical_formula_sum   'Yb1 H2'
_cell_volume   31.72417604
_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
  Yb  Yb0  1  0.00000000  0.00000000  0.00000000  1.0
  H  H1  1  0.75000000  0.75000000  0.75000000  1.0
  H  H2  1  0.25000000  0.25000000  0.25000000  1.0

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