Basic Information
Formula
Sr2In3Rh2
MP-ID
mp-31294
Elements
3
Sites
7
Density
7.0441
g/cm³
Volume
171.03
ų
Cell a
4.2865
Å
Cell b
5.9250
Å
Cell c
7.8204
Å
α Angle
69.58
°
β Angle
74.09
°
γ Angle
68.79
°
Space Group
C2/m
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
mC
Stability
Yes
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 16.71 | 5.3050 | 70.2 | (0,1,0) |
| 24.65 | 3.6115 | 1.2 | (0,0,2) |
| 27.57 | 3.2355 | 9.8 | (1,1,2) |
| 30.62 | 2.9193 | 19.5 | (1,0,2) |
| 30.62 | 2.9193 | 19.5 | (1,1,-1) |
| 32.05 | 2.7923 | 23.1 | (1,-1,0) |
| 32.05 | 2.7923 | 23.1 | (1,2,1) |
| 32.56 | 2.7502 | 13.2 | (0,2,1) |
| 33.69 | 2.6604 | 23.0 | (0,1,-2) |
| 33.79 | 2.6525 | 23.2 | (0,2,0) |
| 34.11 | 2.6282 | 15.7 | (1,-1,-1) |
| 34.75 | 2.5814 | 30.2 | (1,-1,1) |
| 34.75 | 2.5814 | 30.2 | (1,2,0) |
| 35.99 | 2.4951 | 29.5 | (0,2,2) |
| 36.43 | 2.4663 | 6.2 | (0,1,3) |
| 36.49 | 2.4624 | 100.0 | (1,1,3) |
| 37.35 | 2.4077 | 6.5 | (0,0,3) |
| 39.31 | 2.2918 | 8.8 | (0,2,-1) |
| 40.30 | 2.2382 | 34.1 | (1,-1,-2) |
| 40.47 | 2.2289 | 23.7 | (1,0,3) |
| 41.40 | 2.1810 | 2.2 | (1,-1,2) |
| 41.40 | 2.1810 | 2.2 | (1,2,-1) |
| 42.16 | 2.1433 | 48.1 | (2,1,1) |
| 43.14 | 2.0972 | 3.2 | (0,2,3) |
Energy Properties
Formation Energy/atom
-0.48097
eV/atom
Energy/atom
-4.25111
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-21.4645
eV/atom
Volume/atom
24.43
ų
c/a Ratio
1.8244
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
58.384
GPa
GVRH
26.802
GPa
Young's Modulus E
69.735
GPa
Poisson Ratio ν
0.301
Pugh Ratio K/G
2.178
Vickers Hardness Est.
2.507
GPa
Ductility
Brittle
Anisotropy
1.262
Lame λ
40.516
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
In · 0.429
Element Family
PostTransition-Noble
Solute Fraction
0.571
Interstitial Fraction
0.000
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
1.2620
Homogeneous Poisson ν
0.3010
Debye Temperature
245.1
K
Sound Velocity
2,179.0
m/s
Homogeneity
0.3010
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-31294
Reference Citation
The crystal structure and related material properties of Sr2In3Rh2 were obtained from the Materials Project database (MP-ID: mp-31294, 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_Sr2In3Rh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.28652007
_cell_length_b 5.92501006
_cell_length_c 7.82037523
_cell_angle_alpha 69.57588367
_cell_angle_beta 74.09393192
_cell_angle_gamma 68.79346441
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr2In3Rh2
_chemical_formula_sum 'Sr2 In3 Rh2'
_cell_volume 171.02661645
_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 0.85604366 0.51294836 0.77496432 1.0
Sr Sr1 1 0.14395634 0.48705164 0.22503568 1.0
In In2 1 0.50000000 -0.00000000 0.00000000 1.0
In In3 1 0.64281163 0.15721024 0.55716550 1.0
In In4 1 0.35718837 0.84278976 0.44283450 1.0
Rh Rh5 1 0.87336223 0.04656332 0.20671222 1.0
Rh Rh6 1 0.12663777 0.95343668 0.79328778 1.0
