LuP5

Elasticity Data ELA

MP-ID: mp-9853 · Space group: P2_1/m (#11)

Materials Project API

Basic Information

Formula

LuP5

MP-ID

mp-9853

Elements

Sites

Density

4.6624

g/cm³

Volume

234.95

Å³

Cell a

4.9058

Cell b

5.2865

Cell c

9.2792

α Angle

90.00

β Angle

90.00

γ Angle

102.50

Space Group

P2_1/m

Point Group

2/m

Crystal System

Monoclinic

Bravais Lattice

Stability

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
17.18	5.1612	14.4	(0,1,0)
18.53	4.7895	31.9	(1,0,0)
19.13	4.6396	38.5	(0,0,2)
19.68	4.5104	56.2	(0,1,1)
22.43	3.9645	23.9	(1,-1,0)
24.42	3.6457	63.8	(1,-1,1)
25.82	3.4504	6.4	(0,1,2)
26.75	3.3324	100.0	(1,0,2)
28.02	3.1840	30.0	(1,1,0)
29.64	3.0140	45.1	(1,-1,2)
29.66	3.0116	51.7	(1,1,1)
33.78	2.6531	33.5	(0,1,3)
34.15	2.6252	2.1	(1,1,2)
34.52	2.5983	13.2	(1,0,3)
35.77	2.5099	16.6	(1,-2,0)
36.13	2.4862	45.9	(0,2,1)
36.86	2.4387	9.3	(1,-1,3)
37.11	2.4229	18.1	(1,-2,1)
37.56	2.3948	4.8	(2,0,0)
37.84	2.3776	4.5	(2,-1,0)
38.82	2.3198	20.2	(0,0,4)
39.11	2.3032	18.9	(2,-1,1)
39.98	2.2552	7.6	(0,2,2)
40.67	2.2186	22.6	(1,1,3)

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Energy Properties

Formation Energy/atom

-0.59785

eV/atom

Energy/atom

-14.44622

eV/atom

Energy above Hull

0.0082

eV/atom

Uncorrected Energy

-14.4462

eV/atom

Volume/atom

19.58

Å³

c/a Ratio

1.8915

Electronic Properties

Metallic

Non-metal

Band Gap

0.137

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

68.608

GPa

G_VRH

46.754

GPa

Young's Modulus E

114.298

GPa

Poisson Ratio ν

0.222

Pugh Ratio K/G

1.467

Vickers Hardness Est.

9.106

GPa

Ductility

Ductile

Anisotropy

0.345

Lame λ

37.439

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

P · 0.833

Element Family

Metalloid-Nonmetal

Solute Fraction

0.167

Interstitial Fraction

0.833

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.3450

Homogeneous Poisson ν

0.2220

Debye Temperature

498.0

Sound Velocity

3,504.5

m/s

Homogeneity

0.2220

Related Tasks

Related computation task IDs (5)

aaadnopq aaadsmyc aaaekxqi aaaetpvk aaafdeal

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-9853

Reference Citation

The crystal structure and related material properties of LuP5 were obtained from the Materials Project database (MP-ID: mp-9853, 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_LuP5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.90578248
_cell_length_b   5.28647518
_cell_length_c   9.27920104
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.49852216
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuP5
_chemical_formula_sum   'Lu2 P10'
_cell_volume   234.94654622
_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
  Lu  Lu0  1  -0.00005472  0.34721058  0.25000000  1.0
  Lu  Lu1  1  0.00005472  0.65278942  0.75000000  1.0
  P  P2  1  0.27363850  0.88975846  0.25000000  1.0
  P  P3  1  0.72636150  0.11024154  0.75000000  1.0
  P  P4  1  0.61563041  0.95647368  0.40667948  1.0
  P  P5  1  0.38436959  0.04352632  0.90667948  1.0
  P  P6  1  0.38436959  0.04352632  0.59332052  1.0
  P  P7  1  0.61563041  0.95647368  0.09332052  1.0
  P  P8  1  0.71574298  0.59601936  0.47185241  1.0
  P  P9  1  0.28425702  0.40398064  0.97185241  1.0
  P  P10  1  0.28425702  0.40398064  0.52814759  1.0
  P  P11  1  0.71574298  0.59601936  0.02814759  1.0

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