YbNi
Traditional Materials TRAMP-ID: mp-1080433 · Space group: Pnma (#62)
Basic Information
Formula
YbNi
MP-ID
mp-1080433
Elements
2
Sites
8
Density
10.3686
g/cm³
Volume
148.45
ų
Cell a
4.0308
Å
Cell b
5.3174
Å
Cell c
6.9262
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
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 |
|---|---|---|---|
| 25.72 | 3.4631 | 9.5 | (0,0,2) |
| 27.77 | 3.2122 | 42.2 | (1,1,0) |
| 30.68 | 2.9140 | 91.3 | (1,1,1) |
| 30.81 | 2.9019 | 31.0 | (0,1,2) |
| 34.13 | 2.6267 | 100.0 | (1,0,2) |
| 36.19 | 2.4821 | 94.6 | (0,2,1) |
| 38.22 | 2.3551 | 86.5 | (1,1,2) |
| 42.70 | 2.1177 | 46.2 | (0,1,3) |
| 42.79 | 2.1135 | 77.7 | (1,2,1) |
| 44.98 | 2.0154 | 50.6 | (2,0,0) |
| 48.56 | 1.8747 | 9.1 | (1,1,3) |
| 52.54 | 1.7419 | 3.1 | (2,0,2) |
| 55.51 | 1.6553 | 12.3 | (2,1,2) |
| 55.84 | 1.6465 | 24.3 | (0,1,4) |
| 56.74 | 1.6225 | 3.2 | (1,3,0) |
| 57.61 | 1.6000 | 23.6 | (1,2,3) |
| 57.97 | 1.5910 | 12.5 | (1,0,4) |
| 58.42 | 1.5798 | 22.1 | (1,3,1) |
| 58.50 | 1.5778 | 3.1 | (0,3,2) |
| 59.04 | 1.5646 | 46.0 | (2,2,1) |
| 60.77 | 1.5242 | 4.1 | (1,1,4) |
| 63.30 | 1.4693 | 14.5 | (1,3,2) |
| 63.75 | 1.4599 | 27.7 | (2,1,3) |
| 66.51 | 1.4059 | 16.1 | (0,3,3) |
Energy Properties
Formation Energy/atom
-0.49610
eV/atom
Energy/atom
-24.75164
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-24.7516
eV/atom
Volume/atom
18.56
ų
c/a Ratio
1.7183
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
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
0.624
Family
Binary Alloy
Matrix Element
Yb · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1080433
Reference Citation
The crystal structure and related material properties of YbNi were obtained from the Materials Project database (MP-ID: mp-1080433, 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_YbNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.03076342
_cell_length_b 5.31737717
_cell_length_c 6.92616242
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YbNi
_chemical_formula_sum 'Yb4 Ni4'
_cell_volume 148.44905824
_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 0.25000000 0.36739199 0.67984466 1.0
Yb Yb1 1 0.25000000 0.13260801 0.17984466 1.0
Yb Yb2 1 0.75000000 0.63260801 0.32015534 1.0
Yb Yb3 1 0.75000000 0.86739199 0.82015534 1.0
Ni Ni4 1 0.25000000 0.87459062 0.53481317 1.0
Ni Ni5 1 0.25000000 0.62540938 0.03481317 1.0
Ni Ni6 1 0.75000000 0.12540938 0.46518683 1.0
Ni Ni7 1 0.75000000 0.37459062 0.96518683 1.0
