Yb3V

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-979945 · Space group: Pm-3m (#221)

Materials Project API

Basic Information

Formula

Yb3V

MP-ID

mp-979945

Elements

Sites

Density

8.9053

g/cm³

Volume

106.30

Å³

Cell a

4.7371

Cell b

4.7371

Cell c

4.7371

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pm-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Packing Fraction

0.5236

X-ray Diffraction

Diffraction Pattern

Target / Radiation

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

Diffraction Peaks (Top 16)

2θ	d (Å)	I	hkl
18.73	4.7371	13.0	(1,0,0)
26.61	3.3496	11.4	(1,1,0)
32.74	2.7349	100.0	(1,1,1)
37.99	2.3685	50.2	(2,0,0)
42.68	2.1185	6.8	(2,1,0)
46.99	1.9339	5.2	(2,1,1)
54.81	1.6748	34.7	(2,2,0)
58.45	1.5790	3.5	(3,0,0)
61.95	1.4980	2.4	(3,1,0)
65.33	1.4283	40.8	(3,1,1)
68.63	1.3675	11.7	(2,2,2)
71.86	1.3138	1.6	(3,2,0)
75.02	1.2660	2.8	(3,2,1)
81.23	1.1843	5.6	(4,0,0)
84.29	1.1489	2.1	(3,2,2)
87.33	1.1165	1.5	(3,3,0)

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Energy Properties

Formation Energy/atom

0.23714

eV/atom

Energy/atom

-30.68229

eV/atom

Energy above Hull

0.2371

eV/atom

Uncorrected Energy

-30.6823

eV/atom

Volume/atom

26.57

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

5.1843

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.048770

μB/Å³

Elastic Properties

K_VRH

20.968

GPa

G_VRH

14.683

GPa

Young's Modulus E

35.713

GPa

Poisson Ratio ν

0.216

Pugh Ratio K/G

1.428

Vickers Hardness Est.

3.347

GPa

Ductility

Ductile

Anisotropy

2.145

Lame λ

11.179

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

0.563

Family

Binary Alloy

Matrix Element

Yb · 0.750

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

2.1450

Homogeneous Poisson ν

0.2160

Debye Temperature

316.8

Sound Velocity

1,420.1

m/s

Homogeneity

0.2160

Related Tasks

Related computation task IDs (5)

aaadomvt aaadwebw aaaeqmcr aaafbjwz aaahbanx

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-979945

Reference Citation

The crystal structure and related material properties of Yb3V were obtained from the Materials Project database (MP-ID: mp-979945, 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_Yb3V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73704673
_cell_length_b   4.73704673
_cell_length_c   4.73704673
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb3V
_chemical_formula_sum   'Yb3 V1'
_cell_volume   106.29748966
_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  0.50000000  0.50000000  1.0
  Yb  Yb1  1  0.50000000  0.00000000  0.50000000  1.0
  Yb  Yb2  1  0.50000000  0.50000000  0.00000000  1.0
  V  V3  1  0.00000000  0.00000000  0.00000000  1.0

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