Basic Information
Formula
Y2Er3Rh2
MP-ID
mp-3295765
Elements
3
Sites
14
Density
8.2252
g/cm³
Volume
357.50
ų
Cell a
6.3769
Å
Cell b
7.0904
Å
Cell c
8.5846
Å
α Angle
96.73
°
β Angle
111.80
°
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 |
|---|---|---|---|
| 11.19 | 7.9067 | 3.6 | (0,0,1) |
| 14.98 | 5.9141 | 66.9 | (1,0,0) |
| 19.15 | 4.6357 | 17.4 | (1,1,-1) |
| 20.07 | 4.4248 | 30.1 | (1,1,0) |
| 22.49 | 3.9534 | 1.7 | (0,0,2) |
| 24.21 | 3.6765 | 4.8 | (1,-1,1) |
| 25.33 | 3.5168 | 13.9 | (0,2,0) |
| 27.98 | 3.1884 | 8.5 | (2,0,-1) |
| 28.92 | 3.0875 | 76.6 | (1,2,-1) |
| 29.06 | 3.0725 | 10.9 | (0,2,1) |
| 30.17 | 2.9619 | 7.5 | (1,2,0) |
| 30.22 | 2.9571 | 3.7 | (2,0,0) |
| 30.22 | 2.9571 | 3.7 | (2,0,-2) |
| 30.79 | 2.9040 | 100.0 | (2,1,-1) |
| 31.58 | 2.8334 | 64.3 | (1,0,2) |
| 31.58 | 2.8334 | 64.3 | (1,0,-3) |
| 31.85 | 2.8097 | 42.0 | (0,2,-2) |
| 32.00 | 2.7971 | 48.4 | (1,-2,1) |
| 32.28 | 2.7731 | 27.2 | (2,-1,0) |
| 32.71 | 2.7377 | 41.0 | (1,-1,2) |
| 33.42 | 2.6811 | 31.2 | (2,1,0) |
| 33.42 | 2.6811 | 31.2 | (2,-1,-2) |
| 34.02 | 2.6356 | 10.5 | (0,0,3) |
| 35.34 | 2.5395 | 27.2 | (1,2,1) |
Energy Properties
Formation Energy/atom
-0.63860
eV/atom
Energy/atom
-27.87803
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-27.8780
eV/atom
Volume/atom
25.54
ų
c/a Ratio
1.3462
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.6532
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.001830
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Er · 0.429
Element Family
N/A
Solute Fraction
0.571
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.470
Family
Er-rich Multi-Component
Matrix Element
Er · 0.429
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3295765
Reference Citation
The crystal structure and related material properties of Y2Er3Rh2 were obtained from the Materials Project database (MP-ID: mp-3295765, 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_Y2Er3Rh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.37685255
_cell_length_b 7.09041090
_cell_length_c 8.58459308
_cell_angle_alpha 96.73291306
_cell_angle_beta 111.80275465
_cell_angle_gamma 89.99999452
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y2Er3Rh2
_chemical_formula_sum 'Y4 Er6 Rh4'
_cell_volume 357.49838849
_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 0.78870753 0.58159407 0.80772979 1.0
Y Y1 1 0.98097774 0.91840593 0.19227021 1.0
Y Y2 1 0.21129247 0.41840593 0.19227021 1.0
Y Y3 1 0.01902226 0.08159407 0.80772979 1.0
Er Er4 1 0.21011399 0.68633848 0.56490983 1.0
Er Er5 1 0.64520416 0.81366152 0.43509017 1.0
Er Er6 1 0.78988601 0.31366152 0.43509017 1.0
Er Er7 1 0.35479584 0.18633848 0.56490983 1.0
Er Er8 1 0.42685332 0.75000000 1.00000000 1.0
Er Er9 1 0.57314668 0.25000000 0.00000000 1.0
Rh Rh10 1 0.59141934 0.92780979 0.77747183 1.0
Rh Rh11 1 0.81394651 0.57219021 0.22252817 1.0
Rh Rh12 1 0.40858066 0.07219021 0.22252817 1.0
Rh Rh13 1 0.18605349 0.42780979 0.77747183 1.0
