LuP
Traditional Materials TRA Elasticity Data ELAMP-ID: mp-10192 · Space group: Fm-3m (#225)
Basic Information
Formula
LuP
MP-ID
mp-10192
Elements
2
Sites
2
Density
8.1163
g/cm³
Volume
42.13
ų
Cell a
3.9059
Å
Cell b
3.9059
Å
Cell c
3.9059
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cF
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 22)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 27.98 | 3.1891 | 93.2 | (1,0,0) |
| 32.42 | 2.7619 | 100.0 | (1,1,0) |
| 46.50 | 1.9529 | 12.1 | (1,0,-1) |
| 46.50 | 1.9529 | 48.6 | (2,1,1) |
| 46.50 | 1.9529 | 12.1 | (1,2,1) |
| 55.15 | 1.6655 | 29.9 | (2,1,0) |
| 55.15 | 1.6655 | 15.0 | (2,2,1) |
| 57.82 | 1.5946 | 12.7 | (2,0,0) |
| 57.82 | 1.5946 | 12.7 | (2,2,2) |
| 67.87 | 1.3809 | 7.9 | (2,0,2) |
| 67.87 | 1.3809 | 3.9 | (2,2,0) |
| 74.94 | 1.2672 | 7.6 | (2,0,-1) |
| 74.94 | 1.2672 | 7.6 | (3,2,2) |
| 74.94 | 1.2672 | 3.0 | (2,3,2) |
| 77.24 | 1.2351 | 2.7 | (1,-1,-2) |
| 77.24 | 1.2351 | 19.2 | (3,1,2) |
| 77.24 | 1.2351 | 8.2 | (1,2,-1) |
| 77.24 | 1.2351 | 2.7 | (2,3,1) |
| 86.27 | 1.1275 | 4.3 | (1,0,3) |
| 86.27 | 1.1275 | 10.6 | (2,-1,-1) |
| 86.27 | 1.1275 | 8.5 | (1,-2,1) |
| 86.27 | 1.1275 | 2.1 | (3,3,2) |
Energy Properties
Formation Energy/atom
-1.81810
eV/atom
Energy/atom
-25.35908
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-25.3591
eV/atom
Volume/atom
21.07
ų
c/a Ratio
1.0000
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
86.563
GPa
GVRH
65.526
GPa
Young's Modulus E
156.970
GPa
Poisson Ratio ν
0.198
Pugh Ratio K/G
1.321
Vickers Hardness Est.
13.679
GPa
Ductility
Ductile
Anisotropy
0.431
Lame λ
42.879
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Lu · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.500
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.624
Family
Binary Alloy
Matrix Element
Lu · 0.500
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.4310
Homogeneous Poisson ν
0.1980
Debye Temperature
635.5
K
Sound Velocity
3,136.1
m/s
Homogeneity
0.1980
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-10192
Reference Citation
The crystal structure and related material properties of LuP were obtained from the Materials Project database (MP-ID: mp-10192, 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_LuP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.90585617
_cell_length_b 3.90585581
_cell_length_c 3.90585654
_cell_angle_alpha 60.00000248
_cell_angle_beta 60.00000569
_cell_angle_gamma 60.00000571
_symmetry_Int_Tables_number 1
_chemical_formula_structural LuP
_chemical_formula_sum 'Lu1 P1'
_cell_volume 42.13410654
_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
Lu Lu0 1 0.00000000 -0.00000000 0.00000000 1.0
P P1 1 0.50000000 0.50000000 0.50000000 1.0
