Sm2Ge2O7
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-853114 · Space group: P-1 (#2)
Basic Information
Formula
Sm2Ge2O7
MP-ID
mp-853114
Elements
3
Sites
44
Density
6.1207
g/cm³
Volume
605.53
ų
Cell a
12.5865
Å
Cell b
6.9569
Å
Cell c
6.9373
Å
α Angle
91.82
°
β Angle
91.59
°
γ Angle
93.81
°
Space Group
P-1
Point Group
-1
Crystal System
Triclinic
Bravais Lattice
aP
Stability
No
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 |
|---|---|---|---|
| 7.04 | 12.5531 | 7.4 | (1,0,0) |
| 12.77 | 6.9307 | 13.2 | (0,0,1) |
| 14.11 | 6.2766 | 1.8 | (2,0,0) |
| 14.16 | 6.2529 | 28.8 | (1,-1,0) |
| 14.41 | 6.1456 | 5.3 | (1,0,-1) |
| 17.78 | 4.9879 | 1.2 | (0,1,-1) |
| 18.41 | 4.8186 | 63.2 | (2,-1,0) |
| 18.79 | 4.7231 | 1.8 | (2,0,-1) |
| 18.97 | 4.6788 | 6.7 | (1,-1,1) |
| 19.26 | 4.6073 | 18.8 | (1,-1,-1) |
| 19.32 | 4.5932 | 2.2 | (1,1,-1) |
| 19.36 | 4.5846 | 70.0 | (2,0,1) |
| 19.70 | 4.5059 | 34.1 | (2,1,0) |
| 20.17 | 4.4033 | 11.7 | (1,1,1) |
| 21.23 | 4.1844 | 27.7 | (3,0,0) |
| 22.47 | 3.9572 | 14.2 | (2,-1,1) |
| 22.48 | 3.9555 | 21.9 | (2,-1,-1) |
| 23.07 | 3.8548 | 51.2 | (2,1,-1) |
| 24.02 | 3.7051 | 100.0 | (2,1,1) |
| 24.09 | 3.6948 | 9.1 | (3,-1,0) |
| 24.52 | 3.6305 | 22.1 | (3,0,-1) |
| 25.19 | 3.5357 | 28.3 | (3,0,1) |
| 25.71 | 3.4653 | 40.8 | (0,0,2) |
| 26.19 | 3.4029 | 6.4 | (1,-2,0) |
Energy Properties
Formation Energy/atom
2.54279
eV/atom
Energy/atom
-2.30439
eV/atom
Energy above Hull
5.5543
eV/atom
Uncorrected Energy
-2.0085
eV/atom
Volume/atom
13.76
ų
c/a Ratio
0.5512
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
1.9957
μB
Mag. Ordering
FM
Mag. Sites
2
Magnetization/Volume
0.003300
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.636
Element Family
Metalloid-Nonmetal
Solute Fraction
0.364
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9075
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.5452
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
51.985%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.9253
smaller = more stable mixing
VEC
4.364
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8261
SS Former
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.361
Family
O-rich Multi-Component
Matrix Element
O · 0.636
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-853114
Reference Citation
The crystal structure and related material properties of Sm2Ge2O7 were obtained from the Materials Project database (MP-ID: mp-853114, 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
Loading 3D structure…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_Sm2Ge2O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.58647100
_cell_length_b 6.95693754
_cell_length_c 6.93726046
_cell_angle_alpha 91.82010996
_cell_angle_beta 91.58688206
_cell_angle_gamma 93.80639363
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sm2Ge2O7
_chemical_formula_sum 'Sm8 Ge8 O28'
_cell_volume 605.53304111
_cell_formula_units_Z 4
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
Sm Sm0 1 0.32015900 0.11332700 0.83158000 1.0
Sm Sm1 1 0.05185400 0.11380900 0.32937200 1.0
Sm Sm2 1 0.63314300 0.37142100 0.76328400 1.0
Sm Sm3 1 0.11572200 0.35840200 0.08226300 1.0
Sm Sm4 1 0.88427800 0.64159800 0.91773700 1.0
Sm Sm5 1 0.36685700 0.62857900 0.23671600 1.0
Sm Sm6 1 0.94814600 0.88619100 0.67062800 1.0
Sm Sm7 1 0.67984100 0.88667300 0.16842000 1.0
Ge Ge8 1 0.83627800 0.11635200 0.85179400 1.0
Ge Ge9 1 0.51340900 0.16679300 0.32993300 1.0
Ge Ge10 1 0.14541000 0.38084500 0.61609200 1.0
Ge Ge11 1 0.61876800 0.40051700 0.26443300 1.0
Ge Ge12 1 0.38123200 0.59948300 0.73556700 1.0
Ge Ge13 1 0.85459000 0.61915500 0.38390800 1.0
Ge Ge14 1 0.48659100 0.83320700 0.67006700 1.0
Ge Ge15 1 0.16372200 0.88364800 0.14820600 1.0
O O16 1 0.24688500 0.01165100 0.09919500 1.0
O O17 1 0.00368200 0.08094900 0.66569100 1.0
O O18 1 0.70700700 0.08434500 0.28074600 1.0
O O19 1 0.34805200 0.12100900 0.49315600 1.0
O O20 1 0.63936800 0.19033500 0.78770400 1.0
O O21 1 0.00810500 0.18350000 0.01548100 1.0
O O22 1 0.38161900 0.21653900 0.13411900 1.0
O O23 1 0.60757600 0.30002200 0.43473800 1.0
O O24 1 0.29279300 0.31435000 0.78428900 1.0
O O25 1 0.06931300 0.30820800 0.40325500 1.0
O O26 1 0.77579900 0.37707300 0.07790300 1.0
O O27 1 0.96368000 0.42644100 0.77368100 1.0
O O28 1 0.40621500 0.44825200 0.16120800 1.0
O O29 1 0.29829500 0.49310600 0.55960800 1.0
O O30 1 0.70170500 0.50689400 0.44039200 1.0
O O31 1 0.59378500 0.55174800 0.83879200 1.0
O O32 1 0.03632000 0.57355900 0.22631900 1.0
O O33 1 0.22420100 0.62292700 0.92209700 1.0
O O34 1 0.93068700 0.69179200 0.59674500 1.0
O O35 1 0.70720700 0.68565000 0.21571100 1.0
O O36 1 0.39242400 0.69997800 0.56526200 1.0
O O37 1 0.61838100 0.78346100 0.86588100 1.0
O O38 1 0.99189500 0.81650000 0.98451900 1.0
O O39 1 0.36063200 0.80966500 0.21229600 1.0
O O40 1 0.65194800 0.87899100 0.50684400 1.0
O O41 1 0.29299300 0.91565500 0.71925400 1.0
O O42 1 0.99631800 0.91905100 0.33430900 1.0
O O43 1 0.75311500 0.98834900 0.90080500 1.0
