LaNi
Traditional Materials TRA Elasticity Data ELAMP-ID: mp-1064719 · Space group: Cmcm (#63)
Basic Information
Formula
LaNi
MP-ID
mp-1064719
Elements
2
Sites
4
Density
7.2401
g/cm³
Volume
90.64
ų
Cell a
3.8100
Å
Cell b
4.3635
Å
Cell c
5.7754
Å
α Angle
90.00
°
β Angle
109.26
°
γ Angle
90.00
°
Space Group
Cmcm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oC
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 |
|---|---|---|---|
| 16.26 | 5.4521 | 10.6 | (0,0,1) |
| 24.75 | 3.5967 | 12.0 | (1,0,0) |
| 26.16 | 3.4068 | 70.5 | (0,1,1) |
| 32.25 | 2.7754 | 100.0 | (1,1,0) |
| 32.25 | 2.7754 | 100.0 | (1,1,-1) |
| 32.85 | 2.7261 | 63.1 | (0,0,2) |
| 34.09 | 2.6299 | 38.6 | (1,0,1) |
| 34.09 | 2.6299 | 38.6 | (1,0,-2) |
| 38.96 | 2.3120 | 29.5 | (0,1,2) |
| 40.03 | 2.2524 | 67.2 | (1,1,1) |
| 40.03 | 2.2524 | 67.2 | (1,1,-2) |
| 41.39 | 2.1817 | 60.0 | (0,2,0) |
| 44.74 | 2.0256 | 1.5 | (0,2,1) |
| 47.74 | 1.9050 | 39.4 | (2,0,-1) |
| 48.82 | 1.8654 | 4.2 | (1,2,0) |
| 52.72 | 1.7364 | 7.3 | (1,1,2) |
| 52.72 | 1.7364 | 7.3 | (1,1,-3) |
| 53.82 | 1.7034 | 30.7 | (0,2,2) |
| 54.66 | 1.6792 | 19.8 | (1,2,1) |
| 54.66 | 1.6792 | 19.8 | (1,2,-2) |
| 54.71 | 1.6777 | 30.9 | (0,1,3) |
| 55.25 | 1.6627 | 9.3 | (2,1,0) |
| 55.25 | 1.6627 | 9.3 | (2,1,-2) |
| 59.17 | 1.5615 | 11.5 | (2,0,1) |
Energy Properties
Formation Energy/atom
-0.32774
eV/atom
Energy/atom
-5.68581
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-21.1339
eV/atom
Volume/atom
22.66
ų
c/a Ratio
1.5159
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
67.304
GPa
GVRH
14.716
GPa
Young's Modulus E
41.149
GPa
Poisson Ratio ν
0.398
Pugh Ratio K/G
4.574
Vickers Hardness Est.
0.000
GPa
Ductility
Brittle
Anisotropy
1.783
Lame λ
57.493
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
La · 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
La · 0.500
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
1.7830
Homogeneous Poisson ν
0.3980
Debye Temperature
169.7
K
Sound Velocity
1,613.5
m/s
Homogeneity
0.3980
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1064719
Reference Citation
The crystal structure and related material properties of LaNi were obtained from the Materials Project database (MP-ID: mp-1064719, 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_LaNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.80996288
_cell_length_b 4.36346257
_cell_length_c 5.77535562
_cell_angle_alpha 90.00000000
_cell_angle_beta 109.25944878
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaNi
_chemical_formula_sum 'La2 Ni2'
_cell_volume 90.63974184
_cell_formula_units_Z 2
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
La La0 1 0.86654322 0.75000000 0.73308743 1.0
La La1 1 0.13345678 0.25000000 0.26691257 1.0
Ni Ni2 1 0.57280368 0.75000000 0.14560735 1.0
Ni Ni3 1 0.42719632 0.25000000 0.85439265 1.0
