Basic Information
Formula
Er2Lu3Rh2
MP-ID
mp-3295727
Elements
3
Sites
14
Density
10.3511
g/cm³
Volume
341.77
ų
Cell a
6.2996
Å
Cell b
7.0179
Å
Cell c
8.4057
Å
α Angle
96.73
°
β Angle
112.01
°
γ Angle
90.00
°
Space Group
C2/c
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 |
|---|---|---|---|
| 15.19 | 5.8339 | 5.2 | (1,0,-1) |
| 20.32 | 4.3700 | 13.4 | (1,-1,-1) |
| 25.59 | 3.4808 | 2.9 | (0,2,0) |
| 26.82 | 3.3237 | 8.6 | (1,-1,-2) |
| 28.33 | 3.1498 | 5.3 | (2,0,-1) |
| 29.24 | 3.0539 | 42.6 | (1,-2,0) |
| 29.44 | 3.0336 | 18.6 | (0,2,1) |
| 30.53 | 2.9284 | 12.3 | (1,-2,-1) |
| 30.65 | 2.9170 | 4.1 | (2,0,-2) |
| 31.17 | 2.8697 | 74.6 | (2,1,-1) |
| 32.25 | 2.7759 | 100.0 | (1,0,-3) |
| 32.36 | 2.7663 | 38.8 | (0,2,-2) |
| 32.44 | 2.7598 | 43.8 | (1,-2,1) |
| 32.72 | 2.7373 | 33.3 | (2,-1,0) |
| 33.37 | 2.6854 | 27.0 | (1,1,-3) |
| 33.88 | 2.6458 | 45.8 | (2,-1,-2) |
| 34.81 | 2.5769 | 14.1 | (0,0,3) |
| 35.86 | 2.5041 | 41.1 | (1,-2,-2) |
| 36.17 | 2.4834 | 38.2 | (1,-1,-3) |
| 36.81 | 2.4418 | 30.8 | (2,0,-3) |
| 36.87 | 2.4379 | 37.8 | (0,2,2) |
| 38.07 | 2.3638 | 25.0 | (2,1,-3) |
| 38.55 | 2.3355 | 20.7 | (2,2,-1) |
| 39.15 | 2.3013 | 19.6 | (1,-2,2) |
Energy Properties
Formation Energy/atom
-0.69117
eV/atom
Energy/atom
-33.60017
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-33.6002
eV/atom
Volume/atom
24.41
ų
c/a Ratio
1.3343
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0193
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000060
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Lu · 0.429
Element Family
N/A
Solute Fraction
0.571
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.430
Family
Lu-rich Multi-Component
Matrix Element
Lu · 0.429
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3295727
Reference Citation
The crystal structure and related material properties of Er2Lu3Rh2 were obtained from the Materials Project database (MP-ID: mp-3295727, 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_Er2Lu3Rh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.29957471
_cell_length_b 7.01787099
_cell_length_c 8.40568536
_cell_angle_alpha 96.72852188
_cell_angle_beta 112.00707581
_cell_angle_gamma 90.00000244
_symmetry_Int_Tables_number 1
_chemical_formula_structural Er2Lu3Rh2
_chemical_formula_sum 'Er4 Lu6 Rh4'
_cell_volume 341.77325054
_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
Er Er0 1 0.52143467 0.08250030 0.80881983 1.0
Er Er1 1 0.47856533 0.91749970 0.19118017 1.0
Er Er2 1 0.71261385 0.41749970 0.19118017 1.0
Er Er3 1 0.28738615 0.58250030 0.80881983 1.0
Lu Lu4 1 0.28960109 0.31462177 0.43638156 1.0
Lu Lu5 1 0.71039891 0.68537823 0.56361844 1.0
Lu Lu6 1 0.85322053 0.18537823 0.56361844 1.0
Lu Lu7 1 0.14677947 0.81462177 0.43638156 1.0
Lu Lu8 1 0.07281555 0.25000000 1.00000000 1.0
Lu Lu9 1 0.92718445 0.75000000 0.00000000 1.0
Rh Rh10 1 0.32000660 0.57135551 0.22095433 1.0
Rh Rh11 1 0.67999340 0.42864449 0.77904567 1.0
Rh Rh12 1 0.09905327 0.92864449 0.77904567 1.0
Rh Rh13 1 0.90094673 0.07135551 0.22095433 1.0
