Yb5Sb4
Traditional Materials TRAMP-ID: mp-3296189 · Space group: Pnma (#62)
Basic Information
Formula
Yb5Sb4
MP-ID
mp-3296189
Elements
2
Sites
36
Density
8.4541
g/cm³
Volume
1,062.42
ų
Cell a
8.1563
Å
Cell b
8.1575
Å
Cell c
15.9677
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pnma
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oP
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 |
|---|---|---|---|
| 24.40 | 3.6477 | 17.7 | (2,1,0) |
| 24.51 | 3.6322 | 1.1 | (0,2,2) |
| 24.51 | 3.6318 | 1.2 | (2,0,2) |
| 25.04 | 3.5564 | 7.3 | (1,2,1) |
| 25.04 | 3.5561 | 1.2 | (2,1,1) |
| 26.87 | 3.3178 | 25.3 | (2,1,2) |
| 29.69 | 3.0091 | 100.0 | (1,2,3) |
| 29.69 | 3.0089 | 10.3 | (2,1,3) |
| 31.01 | 2.8839 | 36.6 | (2,2,0) |
| 31.35 | 2.8529 | 29.3 | (0,2,4) |
| 31.36 | 2.8527 | 29.5 | (2,0,4) |
| 31.52 | 2.8380 | 1.5 | (2,2,1) |
| 32.04 | 2.7939 | 19.8 | (1,1,5) |
| 33.02 | 2.7124 | 1.4 | (2,2,2) |
| 33.27 | 2.6929 | 3.8 | (1,2,4) |
| 33.27 | 2.6928 | 59.0 | (2,1,4) |
| 33.43 | 2.6806 | 1.7 | (0,3,1) |
| 33.68 | 2.6613 | 41.0 | (0,0,6) |
| 34.78 | 2.5793 | 6.8 | (3,1,0) |
| 35.24 | 2.5466 | 46.9 | (1,3,1) |
| 35.25 | 2.5463 | 44.6 | (3,1,1) |
| 35.71 | 2.5144 | 2.6 | (2,0,5) |
| 37.13 | 2.4215 | 1.0 | (0,3,3) |
| 37.43 | 2.4029 | 5.9 | (1,2,5) |
Energy Properties
Formation Energy/atom
-0.90120
eV/atom
Energy/atom
-32.62033
eV/atom
Energy above Hull
0.2376
eV/atom
Uncorrected Energy
-32.6203
eV/atom
Volume/atom
29.51
ų
c/a Ratio
1.9577
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
7.8498
μB
Mag. Ordering
FM
Mag. Sites
20
Magnetization/Volume
0.007390
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Yb · 0.556
Element Family
N/A
Solute Fraction
0.444
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.488
Family
Binary Alloy
Matrix Element
Yb · 0.556
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3296189
Reference Citation
The crystal structure and related material properties of Yb5Sb4 were obtained from the Materials Project database (MP-ID: mp-3296189, 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_Yb5Sb4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.15632606
_cell_length_b 8.15753258
_cell_length_c 15.96765148
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Yb5Sb4
_chemical_formula_sum 'Yb20 Sb16'
_cell_volume 1062.41560377
_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
Yb Yb0 1 0.05657978 0.17492877 0.40237834 1.0
Yb Yb1 1 0.89748638 0.65735180 0.39101343 1.0
Yb Yb2 1 0.55657978 0.32507123 0.09762166 1.0
Yb Yb3 1 0.10251362 0.34264820 0.60898657 1.0
Yb Yb4 1 0.39748638 0.84264820 0.39101343 1.0
Yb Yb5 1 0.10251362 0.34264820 0.89101343 1.0
Yb Yb6 1 0.39748638 0.84264820 0.10898657 1.0
Yb Yb7 1 0.23228353 0.50482817 0.25000000 1.0
Yb Yb8 1 0.55657978 0.32507123 0.40237834 1.0
Yb Yb9 1 0.76771647 0.49517183 0.75000000 1.0
Yb Yb10 1 0.94342022 0.82507123 0.90237834 1.0
Yb Yb11 1 0.94342022 0.82507123 0.59762166 1.0
Yb Yb12 1 0.44342022 0.67492877 0.59762166 1.0
Yb Yb13 1 0.60251362 0.15735180 0.60898657 1.0
Yb Yb14 1 0.26771647 0.00482817 0.75000000 1.0
Yb Yb15 1 0.60251362 0.15735180 0.89101343 1.0
Yb Yb16 1 0.73228353 0.99517183 0.25000000 1.0
Yb Yb17 1 0.89748638 0.65735180 0.10898657 1.0
Yb Yb18 1 0.44342022 0.67492877 0.90237834 1.0
Yb Yb19 1 0.05657978 0.17492877 0.09762166 1.0
Sb Sb20 1 0.85692321 0.36672802 0.25000000 1.0
Sb Sb21 1 0.39235906 0.38598334 0.75000000 1.0
Sb Sb22 1 0.64307679 0.86672802 0.75000000 1.0
Sb Sb23 1 0.76376904 0.48173355 0.54965106 1.0
Sb Sb24 1 0.73623096 0.98173355 0.04965106 1.0
Sb Sb25 1 0.76376904 0.48173355 0.95034894 1.0
Sb Sb26 1 0.23623096 0.51826645 0.45034894 1.0
Sb Sb27 1 0.23623096 0.51826645 0.04965106 1.0
Sb Sb28 1 0.14307679 0.63327198 0.75000000 1.0
Sb Sb29 1 0.35692321 0.13327198 0.25000000 1.0
Sb Sb30 1 0.60764094 0.61401666 0.25000000 1.0
Sb Sb31 1 0.10764094 0.88598334 0.25000000 1.0
Sb Sb32 1 0.26376904 0.01826645 0.95034894 1.0
Sb Sb33 1 0.89235906 0.11401666 0.75000000 1.0
Sb Sb34 1 0.73623096 0.98173355 0.45034894 1.0
Sb Sb35 1 0.26376904 0.01826645 0.54965106 1.0
