Basic Information
Formula
Sr3In
MP-ID
mp-31349
Elements
2
Sites
4
Density
3.8507
g/cm³
Volume
162.87
ų
Cell a
6.1298
Å
Cell b
6.1298
Å
Cell c
6.1298
Å
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
cF
Stability
No
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 8)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 17.72 | 5.0050 | 1.2 | (1,1,1) |
| 29.14 | 3.0649 | 100.0 | (2,1,1) |
| 41.67 | 2.1672 | 18.7 | (2,2,0) |
| 51.66 | 1.7695 | 39.5 | (3,3,2) |
| 60.41 | 1.5325 | 12.2 | (4,2,2) |
| 68.45 | 1.3707 | 16.8 | (4,3,1) |
| 76.07 | 1.2513 | 4.2 | (4,4,4) |
| 83.44 | 1.1584 | 19.8 | (5,4,3) |
Energy Properties
Formation Energy/atom
-0.11891
eV/atom
Energy/atom
-2.07803
eV/atom
Energy above Hull
0.1317
eV/atom
Uncorrected Energy
-2.0780
eV/atom
Volume/atom
40.72
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.2161
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.001330
μB/ų
Elastic Properties
KVRH
17.296
GPa
GVRH
7.912
GPa
Young's Modulus E
20.596
GPa
Poisson Ratio ν
0.302
Pugh Ratio K/G
2.186
Vickers Hardness Est.
0.000
GPa
Ductility
Brittle
Anisotropy
2.995
Lame λ
12.021
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sr · 0.750
Element Family
Alkali-AlkEarth
Solute Fraction
0.250
Interstitial Fraction
0.000
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
2.9950
Homogeneous Poisson ν
0.3020
Debye Temperature
206.0
K
Sound Velocity
1,601.4
m/s
Homogeneity
0.3020
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-31349
Reference Citation
The crystal structure and related material properties of Sr3In were obtained from the Materials Project database (MP-ID: mp-31349, 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_Sr3In
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.12983232
_cell_length_b 6.12983232
_cell_length_c 6.12983232
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr3In
_chemical_formula_sum 'Sr3 In1'
_cell_volume 162.86613338
_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 0.75000000 0.75000000 0.75000000 1.0
Sr Sr1 1 0.50000000 0.50000000 0.50000000 1.0
Sr Sr2 1 0.25000000 0.25000000 0.25000000 1.0
In In3 1 0.00000000 0.00000000 0.00000000 1.0
