YbTa
Traditional Materials TRA Elasticity Data ELAMP-ID: mp-981458 · Space group: P-6m2 (#187)
Basic Information
Formula
YbTa
MP-ID
mp-981458
Elements
2
Sites
2
Density
13.2280
g/cm³
Volume
44.44
ų
Cell a
3.1512
Å
Cell b
3.1512
Å
Cell c
5.1671
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
No
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 14)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 32.82 | 2.7291 | 23.4 | (1,0,-1,0) |
| 34.72 | 2.5836 | 26.9 | (0,0,0,2) |
| 37.26 | 2.4132 | 100.0 | (1,0,-1,1) |
| 48.52 | 1.8762 | 15.9 | (1,0,-1,2) |
| 58.59 | 1.5756 | 6.0 | (1,1,-2,0) |
| 58.59 | 1.5756 | 12.1 | (2,-1,-1,0) |
| 63.91 | 1.4566 | 21.0 | (1,0,-1,3) |
| 68.80 | 1.3645 | 2.8 | (2,0,-2,0) |
| 69.93 | 1.3452 | 21.4 | (2,-1,-1,2) |
| 71.51 | 1.3193 | 15.1 | (2,0,-2,1) |
| 73.28 | 1.2918 | 3.1 | (0,0,0,4) |
| 79.42 | 1.2066 | 2.5 | (2,0,-2,2) |
| 79.42 | 1.2066 | 1.3 | (2,-2,0,2) |
| 82.64 | 1.1676 | 3.5 | (1,0,-1,4) |
Energy Properties
Formation Energy/atom
0.37459
eV/atom
Energy/atom
-42.18602
eV/atom
Energy above Hull
0.3746
eV/atom
Uncorrected Energy
-42.1860
eV/atom
Volume/atom
22.22
ų
c/a Ratio
1.6397
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
KVRH
73.373
GPa
GVRH
28.309
GPa
Young's Modulus E
75.249
GPa
Poisson Ratio ν
0.329
Pugh Ratio K/G
2.592
Vickers Hardness Est.
1.640
GPa
Ductility
Brittle
Anisotropy
1.225
Lame λ
54.500
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Yb · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.424
Family
Binary Alloy
Matrix Element
Yb · 0.500
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
1.2250
Homogeneous Poisson ν
0.3290
Debye Temperature
217.2
K
Sound Velocity
1,640.2
m/s
Homogeneity
0.3290
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-981458
Reference Citation
The crystal structure and related material properties of YbTa were obtained from the Materials Project database (MP-ID: mp-981458, 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_YbTa
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.15124376
_cell_length_b 3.15124376
_cell_length_c 5.16711590
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999680
_symmetry_Int_Tables_number 1
_chemical_formula_structural YbTa
_chemical_formula_sum 'Yb1 Ta1'
_cell_volume 44.43680708
_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
Yb Yb0 1 0.00000000 0.00000000 0.00000000 1.0
Ta Ta1 1 0.33333300 0.66666700 0.50000000 1.0
