RbSr3

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-975222 · Space group: I4/mmm (#139)

Materials Project API

Basic Information

Formula

RbSr3

MP-ID

mp-975222

Elements

Sites

Density

2.3743

g/cm³

Volume

243.62

Å³

Cell a

7.7303

Cell b

7.7303

Cell c

7.7303

α Angle

132.87

β Angle

132.87

γ Angle

68.86

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 22)

2θ	d (Å)	I	hkl
24.70	3.6051	100.0	(1,1,0)
27.99	3.1880	18.2	(2,2,-2)
28.89	3.0907	33.6	(1,-1,1)
40.66	2.2190	26.3	(3,1,-1)
41.31	2.1854	12.6	(0,0,2)
47.57	1.9114	16.6	(3,3,-2)
48.73	1.8689	30.9	(2,0,1)
50.64	1.8026	13.8	(2,2,0)
57.85	1.5940	2.3	(4,4,-4)
59.85	1.5453	4.2	(2,-2,2)
64.80	1.4387	13.1	(4,2,-1)
65.75	1.4203	6.3	(1,1,2)
65.94	1.4167	6.2	(5,3,-3)
67.34	1.3906	5.8	(4,0,0)
67.80	1.3822	5.7	(1,-1,3)
73.54	1.2878	4.5	(4,4,-2)
74.88	1.2681	8.6	(3,1,1)
78.06	1.2242	3.9	(5,5,-4)
79.81	1.2017	3.7	(3,3,0)
80.68	1.1909	7.1	(3,-1,2)
88.03	1.1095	2.9	(6,2,-2)
89.74	1.0927	1.4	(0,0,4)

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Energy Properties

Formation Energy/atom

0.13892

eV/atom

Energy/atom

-1.37554

eV/atom

Energy above Hull

0.1389

eV/atom

Uncorrected Energy

-1.3755

eV/atom

Volume/atom

60.90

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0683

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000280

μB/Å³

Elastic Properties

K_VRH

8.532

GPa

G_VRH

4.504

GPa

Young's Modulus E

11.490

GPa

Poisson Ratio ν

0.276

Pugh Ratio K/G

1.894

Vickers Hardness Est.

0.000

GPa

Ductility

Brittle

Anisotropy

6.118

Lame λ

5.529

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

0.549

Family

Binary Alloy

Matrix Element

Sr · 0.750

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

6.1180

Homogeneous Poisson ν

0.2760

Homogeneity

0.2760

Related Tasks

Related computation task IDs (5)

aaadoepg aaadumkv aaadwzsb aaaepeml aaafibzh

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-975222

Reference Citation

The crystal structure and related material properties of RbSr3 were obtained from the Materials Project database (MP-ID: mp-975222, 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_RbSr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.73030803
_cell_length_b   7.73030803
_cell_length_c   7.73030803
_cell_angle_alpha   132.86748580
_cell_angle_beta   132.86748580
_cell_angle_gamma   68.86233018
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbSr3
_chemical_formula_sum   'Rb1 Sr3'
_cell_volume   243.61723614
_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
  Rb  Rb0  1  0.00000000  0.00000000  0.00000000  1.0
  Sr  Sr1  1  0.75000000  0.25000000  0.50000000  1.0
  Sr  Sr2  1  0.25000000  0.75000000  0.50000000  1.0
  Sr  Sr3  1  0.50000000  0.50000000  0.00000000  1.0

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