Yb(ZnP)2

Elasticity Data ELA

MP-ID: mp-9582 · Space group: P-3m1 (#164)

Materials Project API

Basic Information

Formula

Yb(ZnP)2

MP-ID

mp-9582

Elements

Sites

Density

6.7898

g/cm³

Volume

89.46

Å³

Cell a

4.0532

Cell b

4.0532

Cell c

6.2882

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-3m1

Point Group

-3m

Crystal System

Trigonal

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
14.08	6.2882	12.9	(0,0,0,1)
25.37	3.5101	6.4	(1,0,-1,0)
28.39	3.1441	1.5	(0,0,0,2)
29.14	3.0650	100.0	(1,0,-1,1)
38.44	2.3420	62.3	(1,0,-1,2)
43.16	2.0961	11.8	(0,0,0,3)
44.72	2.0266	45.0	(2,-1,-1,0)
47.12	1.9289	4.1	(2,-1,-1,1)
50.73	1.7996	8.0	(1,0,-1,3)
52.11	1.7551	1.1	(2,0,-2,0)
53.82	1.7034	1.9	(2,-1,-1,2)
54.26	1.6905	17.6	(2,0,-2,1)
60.40	1.5325	16.3	(2,0,-2,2)
63.89	1.4570	21.6	(2,-1,-1,3)
65.00	1.4347	9.2	(1,0,-1,4)
69.91	1.3456	3.1	(2,0,-2,3)
72.86	1.2981	14.4	(3,-1,-2,1)
76.73	1.2421	1.9	(2,-1,-1,4)
78.20	1.2223	10.2	(3,-1,-2,2)
78.20	1.2223	5.1	(2,1,-3,2)
81.26	1.1839	6.8	(1,0,-1,5)
82.35	1.1710	4.7	(2,0,-2,4)
82.43	1.1701	7.3	(3,0,-3,0)
86.90	1.1210	3.7	(3,-1,-2,3)

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Energy Properties

Formation Energy/atom

-0.73746

eV/atom

Energy/atom

-15.20841

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-15.2084

eV/atom

Volume/atom

17.89

Å³

c/a Ratio

1.5514

Electronic Properties

Metallic

Non-metal

Band Gap

0.795

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

70.369

GPa

G_VRH

49.154

GPa

Young's Modulus E

119.612

GPa

Poisson Ratio ν

0.217

Pugh Ratio K/G

1.432

Vickers Hardness Est.

9.832

GPa

Ductility

Ductile

Anisotropy

0.298

Lame λ

37.600

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Zn · 0.400

Element Family

3d-TM

Solute Fraction

0.600

Interstitial Fraction

0.400

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.2980

Homogeneous Poisson ν

0.2170

Debye Temperature

419.3

Sound Velocity

2,975.8

m/s

Homogeneity

0.2170

Related Tasks

Related computation task IDs (6)

aaaciury aaaeuqqb aaafamnk aaafscie aaagbnco aaahbawr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-9582

Reference Citation

The crystal structure and related material properties of Yb(ZnP)2 were obtained from the Materials Project database (MP-ID: mp-9582, 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_Yb(ZnP)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.05315603
_cell_length_b   4.05315603
_cell_length_c   6.28815544
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000032
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb(ZnP)2
_chemical_formula_sum   'Yb1 Zn2 P2'
_cell_volume   89.46239992
_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
  Yb  Yb0  1  0.00000000  0.00000000  0.00000000  1.0
  Zn  Zn1  1  0.66666700  0.33333300  0.64997004  1.0
  Zn  Zn2  1  0.33333300  0.66666700  0.35002996  1.0
  P  P3  1  0.66666700  0.33333300  0.25696570  1.0
  P  P4  1  0.33333300  0.66666700  0.74303430  1.0

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