Basic Information
Formula
Nb10Sn4Pd
MP-ID
mp-3293744
Elements
3
Sites
30
Density
8.9708
g/cm³
Volume
559.14
ų
Cell a
10.2593
Å
Cell b
10.2593
Å
Cell c
5.3123
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4_2/mnm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tP
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 |
|---|---|---|---|
| 18.81 | 4.7174 | 5.9 | (1,0,1) |
| 20.72 | 4.2860 | 2.0 | (1,1,1) |
| 25.66 | 3.4723 | 1.2 | (2,1,1) |
| 32.33 | 2.7688 | 2.5 | (3,1,1) |
| 33.74 | 2.6561 | 24.1 | (0,0,2) |
| 35.80 | 2.5083 | 1.2 | (3,2,1) |
| 36.01 | 2.4942 | 1.8 | (1,1,2) |
| 36.10 | 2.4883 | 81.8 | (4,1,0) |
| 37.18 | 2.4181 | 33.8 | (3,3,0) |
| 38.15 | 2.3587 | 30.5 | (2,0,2) |
| 39.19 | 2.2987 | 58.7 | (2,1,2) |
| 40.01 | 2.2533 | 100.0 | (4,1,1) |
| 41.01 | 2.2009 | 51.3 | (3,3,1) |
| 42.17 | 2.1430 | 14.3 | (2,2,2) |
| 44.06 | 2.0552 | 12.9 | (3,1,2) |
| 46.79 | 1.9417 | 3.8 | (3,2,2) |
| 47.50 | 1.9141 | 6.4 | (5,0,1) |
| 48.37 | 1.8816 | 5.3 | (5,1,1) |
| 49.40 | 1.8451 | 1.9 | (4,0,2) |
| 50.24 | 1.8159 | 1.1 | (4,1,2) |
| 56.69 | 1.6238 | 1.7 | (5,0,2) |
| 57.46 | 1.6038 | 3.1 | (5,1,2) |
| 59.73 | 1.5481 | 3.2 | (5,2,2) |
| 63.41 | 1.4668 | 16.1 | (5,3,2) |
Energy Properties
Formation Energy/atom
-0.25635
eV/atom
Energy/atom
-24.87541
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-24.8754
eV/atom
Volume/atom
18.64
ų
c/a Ratio
0.5178
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0019
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Nb · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.812
Family
Nb-rich Multi-Component
Matrix Element
Nb · 0.667
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3293744
Reference Citation
The crystal structure and related material properties of Nb10Sn4Pd were obtained from the Materials Project database (MP-ID: mp-3293744, 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_Nb10Sn4Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.25931961
_cell_length_b 10.25931961
_cell_length_c 5.31228428
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Nb10Sn4Pd
_chemical_formula_sum 'Nb20 Sn8 Pd2'
_cell_volume 559.13725171
_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
Nb Nb0 1 0.40215014 0.40215014 0.00000000 1.0
Nb Nb1 1 0.90215014 0.09784986 0.50000000 1.0
Nb Nb2 1 0.09784986 0.90215014 0.50000000 1.0
Nb Nb3 1 0.59784986 0.59784986 0.00000000 1.0
Nb Nb4 1 0.12994816 0.46651987 0.00000000 1.0
Nb Nb5 1 0.96651987 0.37005184 0.50000000 1.0
Nb Nb6 1 0.03348013 0.62994816 0.50000000 1.0
Nb Nb7 1 0.87005184 0.53348013 0.00000000 1.0
Nb Nb8 1 0.37005184 0.96651987 0.50000000 1.0
Nb Nb9 1 0.62994816 0.03348013 0.50000000 1.0
Nb Nb10 1 0.46651987 0.12994816 0.00000000 1.0
Nb Nb11 1 0.53348013 0.87005184 0.00000000 1.0
Nb Nb12 1 0.18311280 0.18311280 0.25426156 1.0
Nb Nb13 1 0.68311280 0.31688720 0.75426156 1.0
Nb Nb14 1 0.31688720 0.68311280 0.75426156 1.0
Nb Nb15 1 0.81688720 0.81688720 0.25426156 1.0
Nb Nb16 1 0.31688720 0.68311280 0.24573844 1.0
Nb Nb17 1 0.68311280 0.31688720 0.24573844 1.0
Nb Nb18 1 0.18311280 0.18311280 0.74573844 1.0
Nb Nb19 1 0.81688720 0.81688720 0.74573844 1.0
Sn Sn20 1 0.26208854 0.93970047 0.00000000 1.0
Sn Sn21 1 0.43970047 0.23791146 0.50000000 1.0
Sn Sn22 1 0.56029953 0.76208854 0.50000000 1.0
Sn Sn23 1 0.73791146 0.06029953 0.00000000 1.0
Sn Sn24 1 0.23791146 0.43970047 0.50000000 1.0
Sn Sn25 1 0.76208854 0.56029953 0.50000000 1.0
Sn Sn26 1 0.93970047 0.26208854 0.00000000 1.0
Sn Sn27 1 0.06029953 0.73791146 0.00000000 1.0
Pd Pd28 1 0.00000000 0.00000000 0.00000000 1.0
Pd Pd29 1 0.50000000 0.50000000 0.50000000 1.0
