ErSn2

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-30613 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

ErSn2

MP-ID

mp-30613

Elements

Sites

Density

8.7318

g/cm³

Volume

153.92

Å³

Cell a

4.2969

Cell b

4.3663

Cell c

8.4893

α Angle

104.90

β Angle

90.00

γ Angle

90.00

Space Group

Cmcm

Point Group

mmm

Crystal System

Orthorhombic

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
10.78	8.2038	1.2	(0,0,1)
23.37	3.8064	9.2	(1,0,1)
26.11	3.4123	11.4	(0,1,1)
32.75	2.7346	39.9	(0,0,3)
33.54	2.6722	100.0	(1,1,1)
33.54	2.6722	100.0	(1,1,-2)
34.18	2.6232	10.1	(0,1,2)
39.04	2.3070	13.9	(1,0,3)
41.36	2.1831	31.1	(0,2,-1)
42.06	2.1485	29.7	(2,0,0)
48.04	1.8938	2.6	(1,2,0)
49.23	1.8509	6.6	(1,0,4)
50.18	1.8181	3.9	(2,1,1)
53.73	1.7061	10.1	(0,2,2)
53.73	1.7061	10.1	(0,2,-4)
54.30	1.6894	19.5	(2,0,3)
54.55	1.6823	4.7	(0,1,4)
54.55	1.6823	4.7	(0,1,-5)
55.27	1.6622	2.6	(2,1,2)
55.27	1.6622	2.6	(2,1,-3)
58.18	1.5857	8.9	(1,2,2)
58.96	1.5665	9.0	(1,1,4)
58.96	1.5665	9.0	(1,1,-5)
60.39	1.5328	1.1	(1,0,5)

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Energy Properties

Formation Energy/atom

-0.55970

eV/atom

Energy/atom

-4.75532

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-28.3992

eV/atom

Volume/atom

25.65

Å³

c/a Ratio

1.9757

Electronic Properties

Metallic

Metal

Band Gap

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

60.804

GPa

G_VRH

37.354

GPa

Young's Modulus E

93.015

GPa

Poisson Ratio ν

0.245

Pugh Ratio K/G

1.628

Vickers Hardness Est.

6.403

GPa

Ductility

Ductile

Anisotropy

0.547

Lame λ

35.901

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sn · 0.667

Element Family

N/A

Solute Fraction

0.333

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.788

Family

Binary Alloy

Matrix Element

Sn · 0.667

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.5470

Homogeneous Poisson ν

0.2450

Debye Temperature

276.7

Sound Velocity

2,294.9

m/s

Homogeneity

0.2450

Related Tasks

Related computation task IDs (5)

aaadmwoq aaadsnqm aaaeldhb aaaetcgr aaafxgwc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30613

Reference Citation

The crystal structure and related material properties of ErSn2 were obtained from the Materials Project database (MP-ID: mp-30613, 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

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_ErSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29694402
_cell_length_b   4.36628885
_cell_length_c   8.48926074
_cell_angle_alpha   104.90192811
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErSn2
_chemical_formula_sum   'Er2 Sn4'
_cell_volume   153.91619311
_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
  Er  Er0  1  0.25000000  0.89990179  0.79980358  1.0
  Er  Er1  1  0.75000000  0.10009821  0.20019642  1.0
  Sn  Sn2  1  0.25000000  0.25159792  0.50319483  1.0
  Sn  Sn3  1  0.75000000  0.74840208  0.49680517  1.0
  Sn  Sn4  1  0.75000000  0.43830106  0.87660312  1.0
  Sn  Sn5  1  0.25000000  0.56169894  0.12339688  1.0

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