Basic Information
Formula
Er2Lu3Ru2
MP-ID
mp-3295437
Elements
3
Sites
14
Density
10.4601
g/cm³
Volume
337.04
ų
Cell a
6.1710
Å
Cell b
7.1866
Å
Cell c
8.2642
Å
α Angle
97.01
°
β Angle
111.92
°
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 |
|---|---|---|---|
| 15.50 | 5.7178 | 4.1 | (1,0,-1) |
| 20.39 | 4.3552 | 14.2 | (1,1,0) |
| 25.00 | 3.5620 | 4.6 | (0,2,0) |
| 26.20 | 3.4020 | 1.7 | (0,2,-1) |
| 27.08 | 3.2931 | 9.8 | (1,1,1) |
| 28.87 | 3.0928 | 43.3 | (1,2,-1) |
| 28.94 | 3.0855 | 3.1 | (2,0,-1) |
| 29.05 | 3.0736 | 19.4 | (0,2,1) |
| 30.21 | 2.9583 | 13.4 | (1,2,0) |
| 31.29 | 2.8589 | 1.3 | (2,0,-2) |
| 31.29 | 2.8589 | 1.3 | (2,0,0) |
| 31.60 | 2.8314 | 86.0 | (2,1,-1) |
| 32.10 | 2.7883 | 36.5 | (0,2,-2) |
| 32.21 | 2.7795 | 23.6 | (1,2,-2) |
| 32.21 | 2.7795 | 23.6 | (1,-2,1) |
| 32.84 | 2.7270 | 100.0 | (1,0,-3) |
| 33.18 | 2.6998 | 33.0 | (2,1,-2) |
| 33.78 | 2.6536 | 30.8 | (1,1,-3) |
| 34.37 | 2.6089 | 45.9 | (2,1,0) |
| 35.43 | 2.5333 | 12.1 | (0,0,3) |
| 35.76 | 2.5109 | 43.3 | (1,2,1) |
| 36.65 | 2.4520 | 46.4 | (1,-1,-3) |
| 36.79 | 2.4433 | 35.0 | (0,2,2) |
| 37.55 | 2.3953 | 11.8 | (2,0,-3) |
Energy Properties
Formation Energy/atom
-0.44236
eV/atom
Energy/atom
-33.71944
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-33.7194
eV/atom
Volume/atom
24.07
ų
c/a Ratio
1.3392
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0067
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000020
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-3295437
Reference Citation
The crystal structure and related material properties of Er2Lu3Ru2 were obtained from the Materials Project database (MP-ID: mp-3295437, 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_Er2Lu3Ru2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.17101030
_cell_length_b 7.18658213
_cell_length_c 8.26418309
_cell_angle_alpha 97.01269415
_cell_angle_beta 111.92291256
_cell_angle_gamma 89.99999681
_symmetry_Int_Tables_number 1
_chemical_formula_structural Er2Lu3Ru2
_chemical_formula_sum 'Er4 Lu6 Ru4'
_cell_volume 337.04361267
_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 0.52173033 0.08542050 0.81188827 1.0
Er Er1 1 0.47826967 0.91457950 0.18811173 1.0
Er Er2 1 0.70984206 0.41457950 0.18811173 1.0
Er Er3 1 0.29015794 0.58542050 0.81188827 1.0
Lu Lu4 1 0.29691529 0.31606464 0.43244044 1.0
Lu Lu5 1 0.70308471 0.68393536 0.56755956 1.0
Lu Lu6 1 0.86447585 0.18393536 0.56755956 1.0
Lu Lu7 1 0.13552415 0.81606464 0.43244044 1.0
Lu Lu8 1 0.08098289 0.25000000 1.00000000 1.0
Lu Lu9 1 0.91901711 0.75000000 0.00000000 1.0
Ru Ru10 1 0.32160041 0.57727792 0.22316586 1.0
Ru Ru11 1 0.67839959 0.42272208 0.77683414 1.0
Ru Ru12 1 0.09843555 0.92272208 0.77683414 1.0
Ru Ru13 1 0.90156445 0.07727792 0.22316586 1.0
