Basic Information
Formula
ErInRh
MP-ID
mp-3141
Elements
3
Sites
9
Density
10.3044
g/cm³
Volume
186.12
ų
Cell a
7.4238
Å
Cell b
7.4238
Å
Cell c
3.8995
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 |
|---|---|---|---|
| 23.97 | 3.7119 | 2.7 | (2,-1,-1,0) |
| 27.75 | 3.2146 | 6.3 | (2,0,-2,0) |
| 33.33 | 2.6886 | 100.0 | (2,-1,-1,1) |
| 36.22 | 2.4804 | 26.9 | (2,-2,0,1) |
| 36.22 | 2.4804 | 53.8 | (2,0,-2,1) |
| 36.99 | 2.4300 | 29.2 | (3,-1,-2,0) |
| 36.99 | 2.4300 | 14.6 | (2,1,-3,0) |
| 42.17 | 2.1431 | 11.4 | (3,-3,0,0) |
| 42.17 | 2.1431 | 22.7 | (3,0,-3,0) |
| 43.90 | 2.0623 | 9.3 | (3,-2,-1,1) |
| 43.90 | 2.0623 | 9.3 | (3,-1,-2,1) |
| 46.58 | 1.9497 | 23.4 | (0,0,0,2) |
| 49.09 | 1.8560 | 2.8 | (4,-2,-2,0) |
| 51.23 | 1.7831 | 10.7 | (4,-1,-3,0) |
| 51.23 | 1.7831 | 2.1 | (3,1,-4,0) |
| 54.78 | 1.6758 | 3.6 | (4,-2,-2,1) |
| 55.09 | 1.6671 | 2.0 | (2,0,-2,2) |
| 56.77 | 1.6216 | 16.4 | (4,-1,-3,1) |
| 57.32 | 1.6073 | 1.3 | (4,-4,0,0) |
| 60.92 | 1.5207 | 20.1 | (3,-1,-2,2) |
| 62.50 | 1.4860 | 1.8 | (4,0,-4,1) |
| 63.02 | 1.4750 | 1.4 | (5,-3,-2,0) |
| 63.02 | 1.4750 | 1.4 | (5,-2,-3,0) |
| 64.63 | 1.4422 | 12.6 | (3,-3,0,2) |
Energy Properties
Formation Energy/atom
-0.75099
eV/atom
Energy/atom
-5.64806
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-27.7262
eV/atom
Volume/atom
20.68
ų
c/a Ratio
0.5253
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-3141
Reference Citation
The crystal structure and related material properties of ErInRh were obtained from the Materials Project database (MP-ID: mp-3141, 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_ErInRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.42382029
_cell_length_b 7.42382077
_cell_length_c 3.89944901
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000699
_symmetry_Int_Tables_number 1
_chemical_formula_structural ErInRh
_chemical_formula_sum 'Er3 In3 Rh3'
_cell_volume 186.11817073
_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 0.59444067 0.50000000 1.0
Er Er1 1 0.40555933 0.40555933 0.50000000 1.0
Er Er2 1 0.59444067 0.00000000 0.50000000 1.0
In In3 1 0.25761013 0.00000000 -0.00000000 1.0
In In4 1 0.74238987 0.74238987 -0.00000000 1.0
In In5 1 0.00000000 0.25761013 0.00000000 1.0
Rh Rh6 1 0.66666700 0.33333300 -0.00000000 1.0
Rh Rh7 1 0.33333300 0.66666700 0.00000000 1.0
Rh Rh8 1 0.00000000 0.00000000 0.50000000 1.0
