Basic Information
Formula
YbAgSn
MP-ID
mp-11069
Elements
3
Sites
9
Density
9.8429
g/cm³
Volume
202.25
ų
Cell a
4.7665
Å
Cell b
4.7665
Å
Cell c
10.2796
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-6m2
Point Group
-6m2
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
Yes
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 20)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 21.53 | 4.1279 | 5.5 | (1,0,-1,0) |
| 23.22 | 3.8306 | 1.0 | (1,0,-1,1) |
| 26.00 | 3.4265 | 1.2 | (0,0,0,3) |
| 34.00 | 2.6365 | 100.0 | (1,0,-1,3) |
| 37.75 | 2.3832 | 77.3 | (2,-1,-1,0) |
| 41.39 | 2.1816 | 2.7 | (1,0,-1,4) |
| 46.41 | 1.9565 | 1.4 | (2,-1,-1,3) |
| 51.70 | 1.7680 | 30.6 | (2,0,-2,3) |
| 53.48 | 1.7133 | 7.7 | (0,0,0,6) |
| 57.25 | 1.6092 | 1.1 | (2,0,-2,4) |
| 58.31 | 1.5824 | 1.8 | (1,0,-1,6) |
| 65.77 | 1.4199 | 29.7 | (3,-1,-2,3) |
| 67.31 | 1.3911 | 23.3 | (2,-1,-1,6) |
| 67.72 | 1.3836 | 1.8 | (1,0,-1,7) |
| 68.15 | 1.3760 | 13.6 | (3,0,-3,0) |
| 70.63 | 1.3337 | 1.2 | (3,-1,-2,4) |
| 80.22 | 1.1965 | 1.2 | (2,0,-2,7) |
| 80.62 | 1.1916 | 8.7 | (4,-2,-2,0) |
| 83.87 | 1.1536 | 1.3 | (3,-1,-2,6) |
| 88.91 | 1.1008 | 5.8 | (1,0,-1,9) |
Energy Properties
Formation Energy/atom
-0.51856
eV/atom
Energy/atom
-28.06237
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-28.0624
eV/atom
Volume/atom
22.47
ų
c/a Ratio
2.1567
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0000
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
Yb · 0.333
Element Family
N/A
Solute Fraction
0.667
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.430
Family
Yb-rich Multi-Component
Matrix Element
Yb · 0.333
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-11069
Reference Citation
The crystal structure and related material properties of YbAgSn were obtained from the Materials Project database (MP-ID: mp-11069, 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_YbAgSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76644846
_cell_length_b 4.76644846
_cell_length_c 10.27955697
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999957
_symmetry_Int_Tables_number 1
_chemical_formula_structural YbAgSn
_chemical_formula_sum 'Yb3 Ag3 Sn3'
_cell_volume 202.25293588
_cell_formula_units_Z 3
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
Yb Yb0 1 0.66666700 0.33333300 0.00000000 1.0
Yb Yb1 1 0.66666700 0.33333300 0.66736724 1.0
Yb Yb2 1 0.66666700 0.33333300 0.33263276 1.0
Ag Ag3 1 0.00000000 0.00000000 0.80572562 1.0
Ag Ag4 1 0.00000000 0.00000000 0.19427438 1.0
Ag Ag5 1 0.33333300 0.66666700 0.50000000 1.0
Sn Sn6 1 0.33333300 0.66666700 0.83959890 1.0
Sn Sn7 1 0.00000000 0.00000000 0.50000000 1.0
Sn Sn8 1 0.33333300 0.66666700 0.16040110 1.0
