Basic Information
Formula
Sr2Ga10Pd
MP-ID
mp-3293973
Elements
3
Sites
13
Density
6.2400
g/cm³
Volume
260.49
ų
Cell a
4.4127
Å
Cell b
4.4128
Å
Cell c
13.7386
Å
α Angle
99.26
°
β Angle
99.26
°
γ Angle
90.03
°
Space Group
I4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tI
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 |
|---|---|---|---|
| 6.61 | 13.3777 | 39.1 | (0,0,1) |
| 13.24 | 6.6888 | 16.1 | (0,0,2) |
| 19.91 | 4.4592 | 1.5 | (0,0,3) |
| 20.40 | 4.3543 | 1.4 | (0,1,-1) |
| 20.40 | 4.3542 | 1.4 | (1,0,-1) |
| 20.40 | 4.3536 | 1.5 | (0,1,0) |
| 20.40 | 4.3536 | 1.5 | (1,0,0) |
| 22.48 | 3.9558 | 7.0 | (0,1,-2) |
| 22.48 | 3.9558 | 7.0 | (1,0,-2) |
| 22.48 | 3.9544 | 6.9 | (0,1,1) |
| 22.48 | 3.9544 | 6.9 | (1,0,1) |
| 26.17 | 3.4052 | 2.7 | (0,1,-3) |
| 26.17 | 3.4052 | 2.7 | (1,0,-3) |
| 26.18 | 3.4037 | 2.7 | (0,1,2) |
| 26.18 | 3.4037 | 2.7 | (1,0,2) |
| 28.60 | 3.1210 | 4.9 | (1,-1,0) |
| 28.61 | 3.1196 | 4.9 | (1,1,-1) |
| 29.39 | 3.0394 | 2.6 | (1,-1,1) |
| 29.39 | 3.0394 | 2.6 | (1,-1,-1) |
| 29.40 | 3.0385 | 2.7 | (1,1,-2) |
| 29.40 | 3.0376 | 2.5 | (1,1,0) |
| 30.95 | 2.8898 | 35.7 | (0,1,-4) |
| 30.95 | 2.8898 | 35.7 | (1,0,-4) |
| 30.96 | 2.8884 | 35.2 | (0,1,3) |
Energy Properties
Formation Energy/atom
-0.48316
eV/atom
Energy/atom
-13.38158
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-13.3816
eV/atom
Volume/atom
20.04
ų
c/a Ratio
3.1134
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0001
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
Ga · 0.769
Element Family
N/A
Solute Fraction
0.231
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.620
Family
Ga-rich Multi-Component
Matrix Element
Ga · 0.769
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3293973
Reference Citation
The crystal structure and related material properties of Sr2Ga10Pd were obtained from the Materials Project database (MP-ID: mp-3293973, 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_Sr2Ga10Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.41272237
_cell_length_b 4.41274566
_cell_length_c 13.73857997
_cell_angle_alpha 99.26367030
_cell_angle_beta 99.26342861
_cell_angle_gamma 90.02537107
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr2Ga10Pd
_chemical_formula_sum 'Sr2 Ga10 Pd1'
_cell_volume 260.49293410
_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 0.64632797 0.64633479 0.29373460 1.0
Sr Sr1 1 0.35368587 0.35368621 0.70632265 1.0
Ga Ga2 1 0.55046177 0.05056902 0.10087031 1.0
Ga Ga3 1 0.05055571 0.55046155 0.10087068 1.0
Ga Ga4 1 0.10310993 0.10311464 0.20604255 1.0
Ga Ga5 1 0.19584120 0.19584370 0.39307445 1.0
Ga Ga6 1 0.74905230 0.25082848 0.49991485 1.0
Ga Ga7 1 0.25082372 0.74905506 0.49991492 1.0
Ga Ga8 1 0.80409046 0.80409601 0.60680081 1.0
Ga Ga9 1 0.89689089 0.89689521 0.79400327 1.0
Ga Ga10 1 0.94952347 0.44961343 0.89928358 1.0
Ga Ga11 1 0.44961410 0.94953821 0.89928397 1.0
Pd Pd12 1 0.50001962 0.49996070 0.99988236 1.0
