Basic Information
Formula
Sr9AgPd5
MP-ID
mp-3295822
Elements
3
Sites
15
Density
4.9657
g/cm³
Volume
477.71
ų
Cell a
8.1683
Å
Cell b
8.1646
Å
Cell c
8.1759
Å
α Angle
71.93
°
β Angle
71.84
°
γ Angle
71.54
°
Space Group
P1
Point Group
1
Crystal System
Triclinic
Bravais Lattice
aP
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 |
|---|---|---|---|
| 11.72 | 7.5517 | 43.9 | (0,0,1) |
| 11.76 | 7.5283 | 34.1 | (0,1,0) |
| 11.76 | 7.5276 | 37.3 | (1,0,0) |
| 14.47 | 6.1202 | 1.4 | (1,1,0) |
| 14.51 | 6.1026 | 2.0 | (1,0,1) |
| 14.54 | 6.0940 | 1.0 | (0,1,1) |
| 14.73 | 6.0140 | 26.2 | (1,1,1) |
| 18.49 | 4.7984 | 18.7 | (0,1,-1) |
| 18.51 | 4.7939 | 16.0 | (1,0,-1) |
| 18.59 | 4.7734 | 15.8 | (1,-1,0) |
| 21.92 | 4.0550 | 5.7 | (1,1,-1) |
| 22.02 | 4.0375 | 4.0 | (1,-1,1) |
| 22.04 | 4.0324 | 4.9 | (1,-1,-1) |
| 23.71 | 3.7520 | 1.4 | (1,2,0) |
| 26.92 | 3.3121 | 16.3 | (2,2,1) |
| 26.95 | 3.3085 | 12.9 | (2,1,2) |
| 26.97 | 3.3058 | 19.3 | (1,2,2) |
| 28.83 | 3.0966 | 43.2 | (0,1,-2) |
| 28.85 | 3.0942 | 1.3 | (1,0,-2) |
| 28.90 | 3.0892 | 38.8 | (2,0,-1) |
| 28.99 | 3.0800 | 41.8 | (1,-2,0) |
| 29.18 | 3.0601 | 18.6 | (2,2,0) |
| 29.27 | 3.0513 | 16.7 | (2,0,2) |
| 29.31 | 3.0470 | 21.4 | (0,2,2) |
Energy Properties
Formation Energy/atom
-0.46537
eV/atom
Energy/atom
-18.62998
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-18.6300
eV/atom
Volume/atom
31.85
ų
c/a Ratio
1.0009
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0004
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
Sr · 0.600
Element Family
N/A
Solute Fraction
0.400
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.607
Family
Sr-rich Multi-Component
Matrix Element
Sr · 0.600
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3295822
Reference Citation
The crystal structure and related material properties of Sr9AgPd5 were obtained from the Materials Project database (MP-ID: mp-3295822, 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_Sr9AgPd5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.16834487
_cell_length_b 8.16457849
_cell_length_c 8.17591733
_cell_angle_alpha 71.93237591
_cell_angle_beta 71.83553043
_cell_angle_gamma 71.53770734
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr9AgPd5
_chemical_formula_sum 'Sr9 Ag1 Pd5'
_cell_volume 477.71135824
_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 0.82443893 0.11252798 0.33869621 1.0
Sr Sr1 1 0.10584988 0.33834963 0.82234489 1.0
Sr Sr2 1 0.34326902 0.83504102 0.11512672 1.0
Sr Sr3 1 0.16956622 0.89593697 0.65095100 1.0
Sr Sr4 1 0.88673653 0.65748091 0.17688851 1.0
Sr Sr5 1 0.66427307 0.16798036 0.88698373 1.0
Sr Sr6 1 0.50186133 0.49988062 0.49440543 1.0
Sr Sr7 1 0.71090473 0.70618355 0.70003054 1.0
Sr Sr8 1 0.29675257 0.29167838 0.30560068 1.0
Ag Ag9 1 0.35505697 0.53960559 0.91800859 1.0
Pd Pd10 1 0.46029095 0.08557836 0.64745463 1.0
Pd Pd11 1 0.08980296 0.64268857 0.45928069 1.0
Pd Pd12 1 0.64100601 0.46226545 0.08367041 1.0
Pd Pd13 1 0.53852465 0.91091262 0.36261830 1.0
Pd Pd14 1 0.91166818 0.35389099 0.53793967 1.0
