Basic Information
Formula
SrPrPd10
MP-ID
mp-3293982
Elements
3
Sites
12
Density
9.6805
g/cm³
Volume
221.75
ų
Cell a
4.4388
Å
Cell b
5.3618
Å
Cell c
9.3170
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pmmm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oP
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 |
|---|---|---|---|
| 9.49 | 9.3170 | 5.1 | (0,0,1) |
| 19.05 | 4.6585 | 9.1 | (0,0,2) |
| 19.10 | 4.6472 | 17.3 | (0,1,1) |
| 27.76 | 3.2136 | 8.4 | (1,0,2) |
| 27.79 | 3.2099 | 17.5 | (1,1,1) |
| 33.34 | 2.6874 | 20.0 | (0,1,3) |
| 33.42 | 2.6809 | 10.1 | (0,2,0) |
| 38.66 | 2.3293 | 15.1 | (0,0,4) |
| 38.75 | 2.3236 | 29.1 | (0,2,2) |
| 39.19 | 2.2989 | 100.0 | (1,1,3) |
| 39.26 | 2.2948 | 49.9 | (1,2,0) |
| 40.65 | 2.2194 | 50.3 | (2,0,0) |
| 43.90 | 2.0625 | 18.3 | (1,0,4) |
| 43.99 | 2.0586 | 37.8 | (1,2,2) |
| 45.26 | 2.0036 | 1.8 | (2,0,2) |
| 45.28 | 2.0027 | 3.4 | (2,1,1) |
| 51.95 | 1.7601 | 1.2 | (0,1,5) |
| 52.01 | 1.7583 | 1.0 | (0,2,4) |
| 52.11 | 1.7553 | 1.1 | (0,3,1) |
| 53.55 | 1.7113 | 10.2 | (2,1,3) |
| 53.61 | 1.7096 | 5.2 | (2,2,0) |
| 56.22 | 1.6362 | 2.3 | (1,1,5) |
| 56.28 | 1.6347 | 2.5 | (1,2,4) |
| 56.37 | 1.6323 | 2.4 | (1,3,1) |
Energy Properties
Formation Energy/atom
-0.46174
eV/atom
Energy/atom
-23.30792
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-23.3079
eV/atom
Volume/atom
18.48
ų
c/a Ratio
2.0990
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.3451
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.001560
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Pd · 0.833
Element Family
4d-TM
Solute Fraction
0.167
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.5661
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
4.7064
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
14.297%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4339
smaller = more stable mixing
VEC
8.750
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.5153
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3293982
Reference Citation
The crystal structure and related material properties of SrPrPd10 were obtained from the Materials Project database (MP-ID: mp-3293982, 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_SrPrPd10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.43882753
_cell_length_b 5.36180904
_cell_length_c 9.31702801
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrPrPd10
_chemical_formula_sum 'Sr1 Pr1 Pd10'
_cell_volume 221.74662273
_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
Sr Sr0 1 0.00000000 0.00000000 0.00000000 1.0
Pr Pr1 1 0.00000000 0.50000000 0.50000000 1.0
Pd Pd2 1 0.00000000 0.00000000 0.33758727 1.0
Pd Pd3 1 0.00000000 0.50000000 0.82764881 1.0
Pd Pd4 1 0.00000000 0.50000000 0.17235119 1.0
Pd Pd5 1 0.00000000 0.00000000 0.66241273 1.0
Pd Pd6 1 0.50000000 0.50000000 0.00000000 1.0
Pd Pd7 1 0.50000000 0.00000000 0.50000000 1.0
Pd Pd8 1 0.50000000 0.25156287 0.25356269 1.0
Pd Pd9 1 0.50000000 0.74843713 0.74643731 1.0
Pd Pd10 1 0.50000000 0.74843713 0.25356269 1.0
Pd Pd11 1 0.50000000 0.25156287 0.74643731 1.0
