Basic Information
Formula
Y2VRu3
MP-ID
mp-3202509
Elements
3
Sites
6
Density
8.2945
g/cm³
Volume
106.50
ų
Cell a
5.0792
Å
Cell b
5.0792
Å
Cell c
5.0792
Å
α Angle
66.97
°
β Angle
66.97
°
γ Angle
66.97
°
Space Group
R-3m
Point Group
-3m
Crystal System
Trigonal
Bravais Lattice
hR
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 |
|---|---|---|---|
| 19.79 | 4.4857 | 3.1 | (0,1,0) |
| 19.79 | 4.4857 | 1.6 | (1,0,0) |
| 22.71 | 3.9152 | 18.5 | (1,1,1) |
| 23.78 | 3.7412 | 8.8 | (1,0,1) |
| 23.78 | 3.7412 | 4.4 | (1,1,0) |
| 31.94 | 2.8022 | 8.9 | (0,1,-1) |
| 31.94 | 2.8022 | 17.7 | (1,0,-1) |
| 35.74 | 2.5124 | 21.3 | (1,1,2) |
| 35.74 | 2.5124 | 42.7 | (2,1,1) |
| 37.86 | 2.3766 | 49.3 | (1,-1,1) |
| 37.86 | 2.3766 | 98.7 | (1,1,-1) |
| 39.55 | 2.2787 | 100.0 | (1,2,0) |
| 39.55 | 2.2787 | 50.0 | (2,1,0) |
| 40.21 | 2.2428 | 68.9 | (0,2,0) |
| 40.21 | 2.2428 | 34.4 | (2,0,0) |
| 42.76 | 2.1145 | 32.3 | (2,1,2) |
| 42.76 | 2.1145 | 16.2 | (2,2,1) |
| 46.38 | 1.9576 | 27.9 | (2,2,2) |
| 48.68 | 1.8706 | 10.3 | (2,0,2) |
| 48.68 | 1.8706 | 5.1 | (2,2,0) |
| 52.24 | 1.7510 | 2.7 | (2,1,-1) |
| 54.35 | 1.6879 | 5.4 | (1,3,1) |
| 54.35 | 1.6879 | 2.7 | (3,1,1) |
| 56.92 | 1.6179 | 1.5 | (1,-2,1) |
Energy Properties
Formation Energy/atom
-0.34232
eV/atom
Energy/atom
-22.17405
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-22.1741
eV/atom
Volume/atom
17.75
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.5916
μB
Mag. Ordering
FiM
Mag. Sites
4
Magnetization/Volume
0.005560
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ru · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.518
Family
Ru-rich Multi-Component
Matrix Element
Ru · 0.500
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3202509
Reference Citation
The crystal structure and related material properties of Y2VRu3 were obtained from the Materials Project database (MP-ID: mp-3202509, 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_Y2VRu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.07922245
_cell_length_b 5.07922323
_cell_length_c 5.07922401
_cell_angle_alpha 66.96710479
_cell_angle_beta 66.96709485
_cell_angle_gamma 66.96710483
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y2VRu3
_chemical_formula_sum 'Y2 V1 Ru3'
_cell_volume 106.49792145
_cell_formula_units_Z 1
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 0.12932944 0.12932944 0.12932944 1.0
Y Y1 1 0.87067056 0.87067056 0.87067056 1.0
V V2 1 0.50000000 0.50000000 0.50000000 1.0
Ru Ru3 1 0.50000000 0.00000000 0.50000000 1.0
Ru Ru4 1 0.00000000 0.50000000 0.50000000 1.0
Ru Ru5 1 0.50000000 0.50000000 0.00000000 1.0
