Sr3Yb

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-981378 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

Sr3Yb

MP-ID

mp-981378

Elements

Sites

Density

3.9314

g/cm³

Volume

184.11

Å³

Cell a

6.3856

Cell b

6.3856

Cell c

6.3856

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 18)

2θ	d (Å)	I	hkl
17.01	5.2138	7.5	(1,1,1)
19.66	4.5153	4.0	(1,1,0)
27.95	3.1928	100.0	(2,1,1)
32.89	2.7228	4.6	(2,2,1)
34.40	2.6069	1.4	(2,2,2)
39.93	2.2577	19.2	(2,2,0)
43.69	2.0718	2.2	(3,2,2)
44.89	2.0193	2.0	(3,2,1)
49.44	1.8434	41.2	(3,3,2)
52.67	1.7379	1.7	(3,3,3)
57.75	1.5964	12.9	(4,2,2)
60.67	1.5265	1.7	(4,3,2)
61.62	1.5051	1.0	(4,3,3)
65.36	1.4279	17.8	(4,3,1)
72.52	1.3035	4.4	(4,4,4)
79.41	1.2068	20.7	(5,4,3)
81.95	1.1757	1.1	(5,4,4)
86.15	1.1288	2.1	(4,4,0)

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Energy Properties

Formation Energy/atom

0.28064

eV/atom

Energy/atom

-20.21095

eV/atom

Energy above Hull

0.2806

eV/atom

Uncorrected Energy

-20.2109

eV/atom

Volume/atom

46.03

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

12.899

GPa

G_VRH

6.768

GPa

Young's Modulus E

17.282

GPa

Poisson Ratio ν

0.277

Pugh Ratio K/G

1.906

Vickers Hardness Est.

0.000

GPa

Ductility

Brittle

Anisotropy

9.046

Lame λ

8.387

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sr · 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

0.454

Family

Binary Alloy

Matrix Element

Sr · 0.750

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

9.0460

Homogeneous Poisson ν

0.2770

Homogeneity

0.2770

Related Tasks

Related computation task IDs (5)

aaadoonp aaaducgw aaaeozmf aaafbiph aaahbaeu

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-981378

Reference Citation

The crystal structure and related material properties of Sr3Yb were obtained from the Materials Project database (MP-ID: mp-981378, 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_Sr3Yb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38558709
_cell_length_b   6.38558709
_cell_length_c   6.38558709
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Yb
_chemical_formula_sum   'Sr3 Yb1'
_cell_volume   184.11429120
_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
  Sr  Sr0  1  0.25000000  0.25000000  0.25000000  1.0
  Sr  Sr1  1  0.75000000  0.75000000  0.75000000  1.0
  Sr  Sr2  1  0.50000000  0.50000000  0.50000000  1.0
  Yb  Yb3  1  0.00000000  0.00000000  0.00000000  1.0

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