YbOs3

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-980192 · Space group: I4/mmm (#139)

Materials Project API

Basic Information

Formula

YbOs3

MP-ID

mp-980192

Elements

Sites

Density

19.1823

g/cm³

Volume

64.38

Å³

Cell a

4.9402

Cell b

4.9402

Cell c

4.9402

α Angle

132.46

β Angle

132.46

γ Angle

69.51

Space Group

I4/mmm

Point Group

4/mmm

Crystal System

Tetragonal

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 8)

2θ	d (Å)	I	hkl
38.92	2.3138	100.0	(2,0,-1)
44.65	2.0295	17.0	(2,2,-2)
45.55	1.9913	32.2	(1,-1,1)
65.69	1.4214	21.9	(3,1,-3)
66.39	1.4081	10.6	(2,-2,0)
78.42	1.2195	13.3	(3,3,-4)
79.72	1.2029	25.6	(3,-1,-2)
83.57	1.1569	11.5	(4,0,-2)

Get direct link

Energy Properties

Formation Energy/atom

0.26944

eV/atom

Energy/atom

-48.60182

eV/atom

Energy above Hull

0.6216

eV/atom

Uncorrected Energy

-48.6018

eV/atom

Volume/atom

16.10

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0004

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

K_VRH

224.333

GPa

G_VRH

46.685

GPa

Young's Modulus E

130.970

GPa

Poisson Ratio ν

0.403

Pugh Ratio K/G

4.805

Vickers Hardness Est.

0.019

GPa

Ductility

Brittle

Anisotropy

0.800

Lame λ

193.210

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Os · 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

0.441

Family

Binary Alloy

Matrix Element

Os · 0.750

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.8000

Homogeneous Poisson ν

0.4030

Debye Temperature

227.5

Sound Velocity

1,766.7

m/s

Homogeneity

0.4030

Related Tasks

Related computation task IDs (5)

aaadobwd aaadwjtz aaaetejo aaafczhk aaahbbci

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-980192

Reference Citation

The crystal structure and related material properties of YbOs3 were obtained from the Materials Project database (MP-ID: mp-980192, 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_YbOs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94022458
_cell_length_b   4.94022458
_cell_length_c   4.94022458
_cell_angle_alpha   132.45729808
_cell_angle_beta   132.45729808
_cell_angle_gamma   69.50772617
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbOs3
_chemical_formula_sum   'Yb1 Os3'
_cell_volume   64.38195922
_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
  Os  Os1  1  0.75000000  0.25000000  0.50000000  1.0
  Os  Os2  1  0.25000000  0.75000000  0.50000000  1.0
  Os  Os3  1  0.50000000  0.50000000  0.00000000  1.0

Get direct link