Yb

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-972364 · Space group: R-3m (#166)

Materials Project API

Basic Information

Formula

MP-ID

mp-972364

Elements

Sites

Density

9.6717

g/cm³

Volume

89.13

Å³

Cell a

8.5325

Cell b

8.5325

Cell c

8.5325

α Angle

23.84

β Angle

23.84

γ Angle

23.84

Space Group

R-3m

Point Group

-3m

Crystal System

Trigonal

Bravais Lattice

Stability

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

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

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
29.49	3.0293	12.7	(0,0,1)
29.49	3.0293	25.3	(1,0,0)
30.15	2.9640	14.9	(1,1,0)
32.41	2.7621	48.5	(3,3,3)
32.69	2.7395	100.0	(2,1,1)
34.48	2.6011	89.8	(2,2,1)
38.91	2.3147	8.0	(3,2,2)
41.47	2.1774	13.8	(3,3,2)
47.15	1.9275	11.6	(4,3,3)
50.23	1.8162	3.5	(4,4,3)
51.89	1.7621	39.2	(1,0,-1)
56.82	1.6205	20.2	(5,4,4)
60.30	1.5348	18.7	(5,5,4)
60.81	1.5232	5.0	(1,1,-1)
61.19	1.5147	2.0	(2,0,0)
62.52	1.4855	44.8	(4,3,2)
62.69	1.4820	15.6	(2,2,0)
63.80	1.4589	5.1	(1,1,3)
63.80	1.4589	10.2	(3,1,1)
66.71	1.4021	1.1	(3,1,3)
67.67	1.3846	1.7	(6,5,5)
67.86	1.3811	5.8	(6,6,6)
68.50	1.3698	1.1	(2,2,4)
68.50	1.3698	2.1	(4,2,2)

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Energy Properties

Formation Energy/atom

eV/atom

Energy/atom

eV/atom

Energy above Hull

eV/atom

Uncorrected Energy

eV/atom

Volume/atom

29.71

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0098

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000110

μB/Å³

Elastic Properties

K_VRH

14.690

GPa

G_VRH

9.767

GPa

Young's Modulus E

23.985

GPa

Poisson Ratio ν

0.228

Pugh Ratio K/G

1.504

Vickers Hardness Est.

1.706

GPa

Ductility

Ductile

Anisotropy

0.512

Lame λ

8.179

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Yb · 1.000

Element Family

N/A

Solute Fraction

0.000

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.453

Family

Pure Metal

Matrix Element

Yb · 1.000

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.5120

Homogeneous Poisson ν

0.2280

Homogeneity

0.2280

Related Tasks

Related computation task IDs (5)

aaadoaub aaadwcye aaaeshwl aaafxebn aaahbaod

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-972364

Reference Citation

The crystal structure and related material properties of Yb were obtained from the Materials Project database (MP-ID: mp-972364, 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_Yb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.53249204
_cell_length_b   8.53249204
_cell_length_c   8.53249206
_cell_angle_alpha   23.83654059
_cell_angle_beta   23.83654059
_cell_angle_gamma   23.83653969
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb
_chemical_formula_sum   Yb3
_cell_volume   89.12784521
_cell_formula_units_Z   3
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
  Yb  Yb1  1  0.22163016  0.22163016  0.22163016  1.0
  Yb  Yb2  1  0.77836984  0.77836984  0.77836984  1.0

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