Basic Information
Formula
Nd10Ag3Ru
MP-ID
mp-3293763
Elements
3
Sites
28
Density
7.4714
g/cm³
Volume
829.93
ų
Cell a
9.8803
Å
Cell b
9.8803
Å
Cell c
9.8168
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
Point Group
6/mmm
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 |
|---|---|---|---|
| 13.73 | 6.4503 | 2.4 | (1,0,-1,1) |
| 20.86 | 4.2576 | 2.5 | (1,0,-1,2) |
| 22.67 | 3.9220 | 1.2 | (2,0,-2,1) |
| 27.58 | 3.2341 | 16.9 | (3,-1,-2,0) |
| 27.66 | 3.2251 | 11.7 | (2,0,-2,2) |
| 29.07 | 3.0717 | 2.3 | (3,-1,-2,1) |
| 29.07 | 3.0717 | 2.3 | (2,1,-3,1) |
| 29.22 | 3.0564 | 24.6 | (1,0,-1,3) |
| 31.36 | 2.8522 | 13.1 | (3,0,-3,0) |
| 32.70 | 2.7389 | 66.6 | (3,0,-3,1) |
| 33.17 | 2.7006 | 100.0 | (3,-1,-2,2) |
| 34.51 | 2.5992 | 42.2 | (2,0,-2,3) |
| 36.37 | 2.4701 | 11.4 | (4,-2,-2,0) |
| 36.37 | 2.4701 | 5.7 | (2,2,-4,0) |
| 36.62 | 2.4542 | 11.7 | (0,0,0,4) |
| 39.05 | 2.3067 | 1.5 | (4,-1,-3,1) |
| 39.16 | 2.3002 | 4.1 | (3,-1,-2,3) |
| 41.07 | 2.1979 | 1.1 | (2,-1,-1,4) |
| 42.46 | 2.1288 | 4.0 | (2,0,-2,4) |
| 46.25 | 1.9630 | 1.3 | (5,-2,-3,0) |
| 46.30 | 1.9610 | 3.5 | (4,0,-4,2) |
| 47.32 | 1.9211 | 5.3 | (4,-1,-3,3) |
| 47.51 | 1.9136 | 2.6 | (1,0,-1,5) |
| 48.77 | 1.8672 | 1.7 | (5,-1,-4,0) |
Energy Properties
Formation Energy/atom
-0.18380
eV/atom
Energy/atom
-27.58896
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-27.5890
eV/atom
Volume/atom
29.64
ų
c/a Ratio
0.9936
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
1.9003
μB
Mag. Ordering
FM
Mag. Sites
2
Magnetization/Volume
0.002290
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Nd · 0.714
Element Family
N/A
Solute Fraction
0.286
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.669
Family
Nd-rich Multi-Component
Matrix Element
Nd · 0.714
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3293763
Reference Citation
The crystal structure and related material properties of Nd10Ag3Ru were obtained from the Materials Project database (MP-ID: mp-3293763, 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_Nd10Ag3Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.88030745
_cell_length_b 9.88030731
_cell_length_c 9.81683009
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000380
_symmetry_Int_Tables_number 1
_chemical_formula_structural Nd10Ag3Ru
_chemical_formula_sum 'Nd20 Ag6 Ru2'
_cell_volume 829.93255576
_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
Nd Nd0 1 0.00000000 0.00000000 0.50000000 1.0
Nd Nd1 1 0.00000000 0.00000000 0.00000000 1.0
Nd Nd2 1 0.20822416 0.79177584 0.43979024 1.0
Nd Nd3 1 0.20822416 0.41644933 0.43979024 1.0
Nd Nd4 1 0.58355067 0.79177584 0.43979024 1.0
Nd Nd5 1 0.79177584 0.20822416 0.56020976 1.0
Nd Nd6 1 0.79177584 0.58355067 0.56020976 1.0
Nd Nd7 1 0.41644933 0.20822416 0.56020976 1.0
Nd Nd8 1 0.79177584 0.20822416 0.93979024 1.0
Nd Nd9 1 0.79177584 0.58355067 0.93979024 1.0
Nd Nd10 1 0.41644933 0.20822416 0.93979024 1.0
Nd Nd11 1 0.20822416 0.79177584 0.06020976 1.0
Nd Nd12 1 0.20822416 0.41644933 0.06020976 1.0
Nd Nd13 1 0.58355067 0.79177584 0.06020976 1.0
Nd Nd14 1 0.54082881 0.45917119 0.25000000 1.0
Nd Nd15 1 0.54082881 0.08165662 0.25000000 1.0
Nd Nd16 1 0.91834338 0.45917119 0.25000000 1.0
Nd Nd17 1 0.45917119 0.54082881 0.75000000 1.0
Nd Nd18 1 0.45917119 0.91834338 0.75000000 1.0
Nd Nd19 1 0.08165662 0.54082881 0.75000000 1.0
Ag Ag20 1 0.88287549 0.11712451 0.25000000 1.0
Ag Ag21 1 0.88287549 0.76575298 0.25000000 1.0
Ag Ag22 1 0.23424702 0.11712451 0.25000000 1.0
Ag Ag23 1 0.11712451 0.88287549 0.75000000 1.0
Ag Ag24 1 0.11712451 0.23424702 0.75000000 1.0
Ag Ag25 1 0.76575298 0.88287549 0.75000000 1.0
Ru Ru26 1 0.33333300 0.66666700 0.25000000 1.0
Ru Ru27 1 0.66666700 0.33333300 0.75000000 1.0
