Basic Information
Formula
ErSnRh
MP-ID
mp-31298
Elements
3
Sites
9
Density
10.5202
g/cm³
Volume
184.14
ų
Cell a
7.5482
Å
Cell b
7.5482
Å
Cell c
3.7320
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-62m
Point Group
-6m2
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
Yes
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 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 23.57 | 3.7741 | 2.3 | (2,-1,-1,0) |
| 27.29 | 3.2685 | 5.9 | (2,0,-2,0) |
| 33.78 | 2.6537 | 100.0 | (2,-1,-1,1) |
| 36.36 | 2.4707 | 42.8 | (3,-1,-2,0) |
| 36.54 | 2.4588 | 50.3 | (2,0,-2,1) |
| 36.54 | 2.4588 | 25.2 | (0,2,-2,1) |
| 41.44 | 2.1790 | 40.2 | (3,0,-3,0) |
| 43.95 | 2.0602 | 5.9 | (3,-1,-2,1) |
| 43.95 | 2.0602 | 11.7 | (2,1,-3,1) |
| 48.23 | 1.8871 | 2.0 | (4,-2,-2,0) |
| 48.81 | 1.8660 | 20.6 | (0,0,0,2) |
| 50.33 | 1.8130 | 13.9 | (4,-1,-3,0) |
| 54.49 | 1.6840 | 1.8 | (4,-2,-2,1) |
| 54.49 | 1.6840 | 3.7 | (2,2,-4,1) |
| 56.29 | 1.6342 | 1.4 | (4,0,-4,0) |
| 56.42 | 1.6308 | 9.8 | (4,-1,-3,1) |
| 56.42 | 1.6308 | 4.9 | (1,3,-4,1) |
| 56.81 | 1.6205 | 1.5 | (2,0,-2,2) |
| 61.87 | 1.4997 | 1.0 | (5,-2,-3,0) |
| 61.87 | 1.4997 | 2.1 | (3,2,-5,0) |
| 61.99 | 1.4970 | 1.5 | (4,0,-4,1) |
| 62.36 | 1.4890 | 6.1 | (3,-1,-2,2) |
| 62.36 | 1.4890 | 12.2 | (2,1,-3,2) |
| 65.43 | 1.4265 | 1.9 | (4,1,-5,0) |
Energy Properties
Formation Energy/atom
-0.90573
eV/atom
Energy/atom
-6.21960
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-28.5718
eV/atom
Volume/atom
20.46
ų
c/a Ratio
0.4944
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
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Er · 0.333
Element Family
N/A
Solute Fraction
0.667
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.430
Family
Er-rich Multi-Component
Matrix Element
Er · 0.333
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-31298
Reference Citation
The crystal structure and related material properties of ErSnRh were obtained from the Materials Project database (MP-ID: mp-31298, 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_ErSnRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.54820786
_cell_length_b 7.54820735
_cell_length_c 3.73195186
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000224
_symmetry_Int_Tables_number 1
_chemical_formula_structural ErSnRh
_chemical_formula_sum 'Er3 Sn3 Rh3'
_cell_volume 184.14262409
_cell_formula_units_Z 3
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
Er Er0 1 0.00000000 0.59623461 -0.00000000 1.0
Er Er1 1 0.40376539 0.40376539 0.00000000 1.0
Er Er2 1 0.59623461 -0.00000000 -0.00000000 1.0
Sn Sn3 1 0.73503772 0.73503772 0.50000000 1.0
Sn Sn4 1 0.00000000 0.26496228 0.50000000 1.0
Sn Sn5 1 0.26496228 -0.00000000 0.50000000 1.0
Rh Rh6 1 0.33333300 0.66666700 0.50000000 1.0
Rh Rh7 1 0.66666700 0.33333300 0.50000000 1.0
Rh Rh8 1 -0.00000000 -0.00000000 -0.00000000 1.0
