LiZnP

Elasticity Data ELA

MP-ID: mp-10182 · Space group: F-43m (#216)

Materials Project API

Basic Information

Formula

LiZnP

MP-ID

mp-10182

Elements

Sites

Density

3.7058

g/cm³

Volume

46.30

Å³

Cell a

4.0305

Cell b

4.0305

Cell c

4.0305

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

F-43m

Point Group

-43m

Crystal System

Cubic

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

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
27.10	3.2909	100.0	(1,0,0)
27.10	3.2909	33.3	(0,0,1)
31.39	2.8500	8.8	(1,1,0)
31.39	2.8500	17.5	(1,0,1)
44.98	2.0153	86.3	(2,1,1)
44.98	2.0153	17.3	(1,1,2)
53.30	1.7186	14.2	(2,2,1)
53.30	1.7186	23.7	(1,1,-1)
53.30	1.7186	19.0	(2,1,2)
55.88	1.6455	5.2	(2,0,0)
55.88	1.6455	1.7	(0,0,2)
65.50	1.4250	5.3	(2,2,0)
65.50	1.4250	10.6	(2,0,2)
72.25	1.3077	5.4	(3,1,1)
72.25	1.3077	9.1	(3,2,2)
72.25	1.3077	3.6	(1,0,-2)
72.25	1.3077	3.6	(2,2,3)
74.44	1.2746	1.3	(3,2,1)
74.44	1.2746	2.6	(2,1,-1)
74.44	1.2746	2.6	(2,-1,1)
74.44	1.2746	1.3	(2,1,3)
82.99	1.1635	8.0	(3,1,0)
82.99	1.1635	10.7	(3,0,1)
82.99	1.1635	8.0	(1,1,-2)

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Energy Properties

Formation Energy/atom

-0.65582

eV/atom

Energy/atom

-7.42228

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-7.4223

eV/atom

Volume/atom

15.43

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Non-metal

Band Gap

1.339

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

63.120

GPa

G_VRH

51.137

GPa

Young's Modulus E

120.791

GPa

Poisson Ratio ν

0.181

Pugh Ratio K/G

1.234

Vickers Hardness Est.

12.619

GPa

Ductility

Ductile

Anisotropy

0.041

Lame λ

29.029

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Li · 0.333

Element Family

Alkali-AlkEarth

Solute Fraction

0.667

Interstitial Fraction

0.333

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.0410

Homogeneous Poisson ν

0.1810

Debye Temperature

489.3

Sound Velocity

4,092.8

m/s

Homogeneity

0.1810

Related Tasks

Related computation task IDs (4)

aaabvyrm aaacmziu aaaeilhd aaafaget

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-10182

Reference Citation

The crystal structure and related material properties of LiZnP were obtained from the Materials Project database (MP-ID: mp-10182, 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_LiZnP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.03052612
_cell_length_b   4.03052617
_cell_length_c   4.03052470
_cell_angle_alpha   60.00000382
_cell_angle_beta   60.00000343
_cell_angle_gamma   59.99999315
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZnP
_chemical_formula_sum   'Li1 Zn1 P1'
_cell_volume   46.29883628
_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
  Li  Li0  1  0.75000000  0.75000000  0.75000000  1.0
  Zn  Zn1  1  0.25000000  0.25000000  0.25000000  1.0
  P  P2  1  0.00000000  0.00000000  -0.00000000  1.0

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