Yb3Os

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-980006 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

Yb3Os

MP-ID

mp-980006

Elements

Sites

Density

13.3416

g/cm³

Volume

88.29

Å³

Cell a

4.9981

Cell b

4.9981

Cell c

4.9981

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

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 5)

2θ	d (Å)	I	hkl
35.94	2.4991	100.0	(2,1,1)
51.73	1.7671	17.9	(2,2,0)
64.59	1.4428	36.8	(3,3,2)
76.19	1.2495	11.5	(4,2,2)
87.23	1.1176	16.8	(4,3,1)

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Energy Properties

Formation Energy/atom

-0.07023

eV/atom

Energy/atom

-40.71357

eV/atom

Energy above Hull

0.1059

eV/atom

Uncorrected Energy

-40.7136

eV/atom

Volume/atom

22.07

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

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

45.883

GPa

G_VRH

8.033

GPa

Young's Modulus E

22.770

GPa

Poisson Ratio ν

0.417

Pugh Ratio K/G

5.712

Vickers Hardness Est.

0.000

GPa

Ductility

Brittle

Anisotropy

6.877

Lame λ

40.528

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Yb · 0.750

Element Family

N/A

Solute Fraction

0.250

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.651

Family

Binary Alloy

Matrix Element

Yb · 0.750

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

6.8770

Homogeneous Poisson ν

0.4170

Debye Temperature

144.9

Sound Velocity

880.5

m/s

Homogeneity

0.4170

Related Tasks

Related computation task IDs (5)

aaadnzln aaadwjni aaaetcwn aaafxeyj aaahbagy

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-980006

Reference Citation

The crystal structure and related material properties of Yb3Os were obtained from the Materials Project database (MP-ID: mp-980006, 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…

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Raw CIF Data

# generated using pymatgen
data_Yb3Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99810695
_cell_length_b   4.99810695
_cell_length_c   4.99810695
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb3Os
_chemical_formula_sum   'Yb3 Os1'
_cell_volume   88.28799167
_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  0.25000000  0.25000000  0.25000000  1.0
  Yb  Yb1  1  0.75000000  0.75000000  0.75000000  1.0
  Yb  Yb2  1  0.50000000  0.50000000  0.50000000  1.0
  Os  Os3  1  0.00000000  0.00000000  0.00000000  1.0

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