Basic Information
Formula
Y2Sn5Rh3
MP-ID
mp-30864
Elements
3
Sites
20
Density
8.5107
g/cm³
Volume
421.47
ų
Cell a
13.3996
Å
Cell b
13.3996
Å
Cell c
7.2151
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
161.01
°
Space Group
Cmc2_1
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
oC
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 |
|---|---|---|---|
| 13.98 | 6.3329 | 1.1 | (1,-1,1) |
| 18.20 | 4.8731 | 6.3 | (2,-2,1) |
| 20.16 | 4.4054 | 6.9 | (3,-3,0) |
| 22.51 | 3.9507 | 2.6 | (2,-1,0) |
| 23.66 | 3.7599 | 2.3 | (3,-3,1) |
| 23.85 | 3.7312 | 3.3 | (1,0,1) |
| 24.68 | 3.6076 | 1.5 | (0,0,2) |
| 26.99 | 3.3040 | 1.9 | (4,-4,0) |
| 28.18 | 3.1664 | 3.8 | (2,-2,2) |
| 29.10 | 3.0689 | 3.0 | (3,-2,1) |
| 29.74 | 3.0040 | 3.7 | (4,-4,1) |
| 31.15 | 2.8710 | 2.3 | (4,-3,0) |
| 32.07 | 2.7911 | 6.7 | (3,-3,2) |
| 32.21 | 2.7793 | 12.6 | (1,0,2) |
| 33.60 | 2.6676 | 66.3 | (4,-3,1) |
| 33.64 | 2.6640 | 100.0 | (2,-1,2) |
| 33.91 | 2.6432 | 4.4 | (5,-5,0) |
| 36.19 | 2.4819 | 21.7 | (5,-5,1) |
| 36.74 | 2.4461 | 23.6 | (5,-4,0) |
| 36.89 | 2.4366 | 8.4 | (4,-4,2) |
| 38.03 | 2.3662 | 6.1 | (1,-1,3) |
| 39.89 | 2.2600 | 17.8 | (2,-2,3) |
| 40.14 | 2.2464 | 11.0 | (4,-3,2) |
| 40.83 | 2.2100 | 52.9 | (1,1,0) |
Energy Properties
Formation Energy/atom
-0.70277
eV/atom
Energy/atom
-6.21867
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-24.4310
eV/atom
Volume/atom
21.07
ų
c/a Ratio
0.5385
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0000
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sn · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.677
Family
Sn-rich Multi-Component
Matrix Element
Sn · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-30864
Reference Citation
The crystal structure and related material properties of Y2Sn5Rh3 were obtained from the Materials Project database (MP-ID: mp-30864, 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_Y2Sn5Rh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.39961648
_cell_length_b 13.39961648
_cell_length_c 7.21512465
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 161.01378403
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y2Sn5Rh3
_chemical_formula_sum 'Y4 Sn10 Rh6'
_cell_volume 421.47026338
_cell_formula_units_Z 2
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
Y Y0 1 0.47595716 0.52404284 0.23816932 1.0
Y Y1 1 0.17191481 0.82808519 0.25665792 1.0
Y Y2 1 0.52404284 0.47595716 0.73816932 1.0
Y Y3 1 0.82808519 0.17191481 0.75665792 1.0
Sn Sn4 1 0.70519297 0.29480703 0.54964984 1.0
Sn Sn5 1 0.59638175 0.40361825 0.11233529 1.0
Sn Sn6 1 0.04750776 0.95249224 0.40082463 1.0
Sn Sn7 1 0.95249224 0.04750776 0.90082463 1.0
Sn Sn8 1 0.71030266 0.28969734 0.97787579 1.0
Sn Sn9 1 0.28969734 0.71030266 0.47787579 1.0
Sn Sn10 1 0.29480703 0.70519297 0.04964984 1.0
Sn Sn11 1 0.88026611 0.11973389 0.23113044 1.0
Sn Sn12 1 0.11973389 0.88026611 0.73113044 1.0
Sn Sn13 1 0.40361825 0.59638175 0.61233529 1.0
Rh Rh14 1 0.39374205 0.60625795 0.98319742 1.0
Rh Rh15 1 0.77777082 0.22222918 0.26455090 1.0
Rh Rh16 1 0.22222918 0.77777082 0.76455090 1.0
Rh Rh17 1 0.05043248 0.94956752 0.01750946 1.0
Rh Rh18 1 0.60625795 0.39374205 0.48319742 1.0
Rh Rh19 1 0.94956752 0.05043248 0.51750946 1.0
