Yb(CdSb)2

Elasticity Data ELA

MP-ID: mp-9257 · Space group: P-3m1 (#164)

Materials Project API

Basic Information

Formula

Yb(CdSb)2

MP-ID

mp-9257

Elements

Sites

Density

7.6588

g/cm³

Volume

139.06

Å³

Cell a

4.8108

Cell b

4.8108

Cell c

6.9382

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

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
12.76	6.9382	4.9	(0,0,0,1)
21.33	4.1662	4.3	(1,0,-1,0)
24.93	3.5718	65.1	(1,0,-1,1)
25.68	3.4691	3.4	(0,0,0,2)
33.62	2.6659	100.0	(1,0,-1,2)
37.39	2.4054	61.6	(2,-1,-1,0)
37.39	2.4054	30.8	(1,1,-2,0)
38.94	2.3127	5.2	(0,0,0,3)
39.66	2.2727	2.0	(2,-1,-1,1)
44.82	2.0221	20.6	(1,0,-1,3)
45.46	1.9951	13.1	(2,0,-2,1)
45.91	1.9767	2.6	(2,-1,-1,2)
45.91	1.9767	1.3	(1,1,-2,2)
51.15	1.7859	30.0	(2,0,-2,2)
55.09	1.6671	11.1	(2,-1,-1,3)
57.56	1.6013	10.3	(1,0,-1,4)
59.74	1.5478	8.7	(2,0,-2,3)
60.27	1.5356	3.7	(3,-2,-1,1)
60.27	1.5356	7.5	(3,-1,-2,1)
65.05	1.4339	28.7	(3,-1,-2,2)
66.45	1.4069	2.8	(2,-1,-1,4)
67.44	1.3887	5.3	(3,-3,0,0)
67.44	1.3887	10.6	(3,0,-3,0)
67.50	1.3876	1.6	(0,0,0,5)

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Energy Properties

Formation Energy/atom

-0.37239

eV/atom

Energy/atom

-26.00279

eV/atom

Energy above Hull

0.1748

eV/atom

Uncorrected Energy

-26.0028

eV/atom

Volume/atom

27.81

Å³

c/a Ratio

1.4422

Electronic Properties

Metallic

Non-metal

Band Gap

0.092

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

40.555

GPa

G_VRH

21.583

GPa

Young's Modulus E

54.993

GPa

Poisson Ratio ν

0.274

Pugh Ratio K/G

1.879

Vickers Hardness Est.

2.767

GPa

Ductility

Brittle

Anisotropy

0.306

Lame λ

26.166

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Cd · 0.400

Element Family

4d-TM

Solute Fraction

0.600

Interstitial Fraction

0.000

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.3060

Homogeneous Poisson ν

0.2740

Debye Temperature

203.9

Sound Velocity

1,869.0

m/s

Homogeneity

0.2740

Related Tasks

Related computation task IDs (5)

aaadnawj aaadsnoy aaaeuaqa aaafikae aaahazyj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-9257

Reference Citation

The crystal structure and related material properties of Yb(CdSb)2 were obtained from the Materials Project database (MP-ID: mp-9257, 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(CdSb)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81075021
_cell_length_b   4.81075021
_cell_length_c   6.93820644
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000498
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb(CdSb)2
_chemical_formula_sum   'Yb1 Cd2 Sb2'
_cell_volume   139.06038969
_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
  Cd  Cd1  1  0.66666700  0.33333300  0.64899017  1.0
  Cd  Cd2  1  0.33333300  0.66666700  0.35100983  1.0
  Sb  Sb3  1  0.66666700  0.33333300  0.22529046  1.0
  Sb  Sb4  1  0.33333300  0.66666700  0.77470954  1.0

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