ScAg4
Traditional Materials TRA Elasticity Data ELAMP-ID: mp-30354 · Space group: I4/m (#87)
Basic Information
Formula
ScAg4
MP-ID
mp-30354
Elements
2
Sites
5
Density
8.8925
g/cm³
Volume
88.97
ų
Cell a
4.0833
Å
Cell b
5.0947
Å
Cell c
5.0947
Å
α Angle
80.76
°
β Angle
66.38
°
γ Angle
66.38
°
Space Group
I4/m
Point Group
4/m
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 |
|---|---|---|---|
| 19.01 | 4.6678 | 3.4 | (0,0,1) |
| 19.01 | 4.6678 | 3.4 | (0,1,0) |
| 25.65 | 3.4726 | 4.9 | (1,1,0) |
| 25.65 | 3.4726 | 1.6 | (1,0,0) |
| 27.01 | 3.3006 | 2.8 | (0,1,1) |
| 37.60 | 2.3924 | 100.0 | (1,1,-1) |
| 37.60 | 2.3924 | 33.3 | (1,-1,1) |
| 38.58 | 2.3339 | 1.2 | (0,2,0) |
| 43.35 | 2.0875 | 43.4 | (0,2,1) |
| 44.37 | 2.0416 | 20.1 | (2,1,1) |
| 46.90 | 1.9371 | 1.1 | (1,2,-1) |
| 54.96 | 1.6706 | 1.2 | (1,1,-2) |
| 62.97 | 1.4761 | 6.6 | (0,1,-3) |
| 62.97 | 1.4761 | 6.9 | (0,3,1) |
| 63.76 | 1.4596 | 13.1 | (2,3,0) |
| 63.76 | 1.4596 | 12.9 | (2,0,-1) |
| 75.71 | 1.2562 | 11.6 | (1,3,-2) |
| 75.71 | 1.2562 | 15.3 | (1,4,1) |
| 75.71 | 1.2562 | 3.9 | (1,-3,0) |
| 77.17 | 1.2360 | 7.3 | (3,3,1) |
| 77.17 | 1.2360 | 7.5 | (3,2,3) |
| 80.25 | 1.1962 | 6.6 | (2,2,-2) |
| 80.25 | 1.1962 | 3.5 | (2,4,2) |
| 80.25 | 1.1962 | 3.3 | (2,-2,0) |
Energy Properties
Formation Energy/atom
-0.18632
eV/atom
Energy/atom
-19.55072
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-19.5507
eV/atom
Volume/atom
17.79
ų
c/a Ratio
1.2477
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
89.295
GPa
GVRH
35.942
GPa
Young's Modulus E
95.070
GPa
Poisson Ratio ν
0.323
Pugh Ratio K/G
2.484
Vickers Hardness Est.
2.606
GPa
Ductility
Brittle
Anisotropy
1.487
Lame λ
65.334
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ag · 0.800
Element Family
N/A
Solute Fraction
0.200
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.889
Family
Binary Alloy
Matrix Element
Ag · 0.800
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
1.4870
Homogeneous Poisson ν
0.3230
Debye Temperature
256.8
K
Sound Velocity
2,252.1
m/s
Homogeneity
0.3230
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-30354
Reference Citation
The crystal structure and related material properties of ScAg4 were obtained from the Materials Project database (MP-ID: mp-30354, 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_ScAg4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.08325398
_cell_length_b 5.09473263
_cell_length_c 5.09473272
_cell_angle_alpha 80.75904534
_cell_angle_beta 66.37599764
_cell_angle_gamma 66.37598649
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScAg4
_chemical_formula_sum 'Sc1 Ag4'
_cell_volume 88.96617770
_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
Sc Sc0 1 0.00000000 -0.00000000 0.00000000 1.0
Ag Ag1 1 0.19961062 0.20075913 0.40002063 1.0
Ag Ag2 1 0.59963025 0.59997937 0.20075913 1.0
Ag Ag3 1 0.40036975 0.40002063 0.79924087 1.0
Ag Ag4 1 0.80038938 0.79924087 0.59997937 1.0
