Lu

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-973571 · Space group: R-3m (#166)

Materials Project API

Basic Information

Formula

MP-ID

mp-973571

Elements

Sites

Density

9.7862

g/cm³

Volume

89.07

Å³

Cell a

8.7200

Cell b

8.7200

Cell c

8.7200

α Angle

23.03

β Angle

23.03

γ Angle

23.03

Space Group

R-3m

Point Group

-3m

Crystal System

Trigonal

Bravais Lattice

Stability

Yes

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
29.84	2.9941	41.4	(1,0,0)
30.47	2.9339	5.5	(1,1,0)
30.47	2.9338	10.9	(1,0,1)
31.63	2.8284	58.2	(3,3,3)
32.87	2.7247	37.0	(1,1,2)
32.87	2.7247	73.9	(2,1,1)
34.58	2.5942	100.0	(2,2,1)
38.80	2.3210	3.0	(2,2,3)
38.80	2.3210	6.0	(3,2,2)
41.25	2.1886	15.9	(3,3,2)
46.70	1.9450	4.4	(3,3,4)
46.70	1.9450	8.9	(4,3,3)
49.66	1.8357	4.1	(4,4,3)
52.57	1.7407	28.3	(1,0,-1)
52.57	1.7407	14.1	(1,-1,0)
56.00	1.6422	23.9	(5,4,4)
59.36	1.5570	22.0	(5,5,4)
61.63	1.5049	5.4	(1,1,-1)
61.99	1.4971	1.5	(2,0,0)
62.67	1.4825	33.4	(4,3,2)
62.67	1.4825	16.7	(4,2,3)
63.41	1.4669	5.7	(2,2,0)
63.41	1.4669	11.3	(2,0,2)
64.46	1.4455	16.7	(3,1,1)

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Energy Properties

Formation Energy/atom

0.00000

eV/atom

Energy/atom

-38.07988

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-38.0799

eV/atom

Volume/atom

29.69

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.6421

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.018440

μB/Å³

Elastic Properties

K_VRH

44.851

GPa

G_VRH

28.755

GPa

Young's Modulus E

71.076

GPa

Poisson Ratio ν

0.236

Pugh Ratio K/G

1.560

Vickers Hardness Est.

5.482

GPa

Ductility

Ductile

Anisotropy

0.058

Lame λ

25.681

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Lu · 1.000

Element Family

N/A

Solute Fraction

0.000

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.573

Family

Pure Metal

Matrix Element

Lu · 1.000

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.0580

Homogeneous Poisson ν

0.2360

Homogeneity

0.2360

Related Tasks

Related computation task IDs (5)

aaacinbr aaadrmox aaaeusxo aaaevlpi aaafbowv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-973571

Reference Citation

The crystal structure and related material properties of Lu were obtained from the Materials Project database (MP-ID: mp-973571, 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_Lu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.71997290
_cell_length_b   8.71997290
_cell_length_c   8.71997314
_cell_angle_alpha   23.03018099
_cell_angle_beta   23.03018099
_cell_angle_gamma   23.03017864
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu
_chemical_formula_sum   Lu3
_cell_volume   89.06653365
_cell_formula_units_Z   3
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
  Lu  Lu1  1  0.22169139  0.22169139  0.22169139  1.0
  Lu  Lu2  1  0.77830861  0.77830861  0.77830861  1.0

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