Ce(Ni2Sn)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-30510 · Space group: I-4c2 (#120)

Materials Project API

Basic Information

Formula

Ce(Ni2Sn)2

MP-ID

mp-30510

Elements

Sites

Density

10.6323

g/cm³

Volume

191.26

Å³

Cell a

6.2918

Cell b

6.2918

Cell c

6.2918

α Angle

111.14

β Angle

111.14

γ Angle

106.18

Space Group

I-4c2

Point Group

-42m

Crystal System

Tetragonal

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
17.63	5.0307	2.9	(1,-1,0)
29.57	3.0213	29.5	(1,1,-2)
30.48	2.9324	16.0	(2,-1,-1)
34.63	2.5901	32.9	(2,0,-2)
35.70	2.5154	12.0	(2,-2,0)
40.08	2.2498	87.3	(2,-2,1)
43.21	2.0939	4.5	(3,-1,-1)
45.95	1.9750	100.0	(2,1,-3)
47.01	1.9331	4.0	(3,-1,-2)
48.16	1.8893	4.9	(2,2,-2)
51.37	1.7786	8.3	(2,-2,2)
51.68	1.7687	3.2	(2,2,-3)
54.55	1.6822	5.3	(3,-2,-2)
54.74	1.6769	8.9	(3,-3,0)
57.25	1.6093	6.9	(3,-1,-3)
57.97	1.5909	11.0	(3,-3,1)
59.51	1.5534	7.1	(4,-1,-2)
60.39	1.5328	12.1	(4,-2,-1)
61.37	1.5106	4.3	(2,2,-4)
63.44	1.4662	2.4	(4,-2,-2)
64.39	1.4468	10.5	(3,1,-4)
65.58	1.4236	12.1	(4,-1,-3)
67.08	1.3953	2.3	(3,-3,2)
68.76	1.3652	2.1	(3,2,-4)

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Energy Properties

Formation Energy/atom

-0.07801

eV/atom

Energy/atom

-5.37468

eV/atom

Energy above Hull

0.3349

eV/atom

Uncorrected Energy

-5.3747

eV/atom

Volume/atom

13.66

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0009

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ni · 0.571

Element Family

3d-TM

Solute Fraction

0.429

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9557

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.9457

J/mol·K

Ω Parameter

0.3843

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

15.437%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2831

smaller = more stable mixing

VEC

7.286

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-26.554

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8699

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.527

Family

Ni-based Alloy

Matrix Element

Ni · 0.571

Related Tasks

Related computation task IDs (5)

aaadmytg aaadrkmy aaaeaikv aaaetood aaafsesf

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30510

Reference Citation

The crystal structure and related material properties of Ce(Ni2Sn)2 were obtained from the Materials Project database (MP-ID: mp-30510, 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_Ce(Ni2Sn)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29175717
_cell_length_b   6.29175717
_cell_length_c   6.29175717
_cell_angle_alpha   111.14196360
_cell_angle_beta   111.14196360
_cell_angle_gamma   106.17905130
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce(Ni2Sn)2
_chemical_formula_sum   'Ce2 Ni8 Sn4'
_cell_volume   191.26045073
_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
  Ce  Ce0  1  0.00000000  0.50000000  0.50000000  1.0
  Ce  Ce1  1  0.50000000  0.00000000  0.50000000  1.0
  Ni  Ni2  1  0.55118700  0.56512800  0.28306000  1.0
  Ni  Ni3  1  0.73187300  0.44881300  0.01394100  1.0
  Ni  Ni4  1  0.23187300  0.21793200  0.28306000  1.0
  Ni  Ni5  1  0.78206800  0.06512800  0.01394100  1.0
  Ni  Ni6  1  0.05118700  0.76812700  0.98605900  1.0
  Ni  Ni7  1  0.43487200  0.71793200  0.98605900  1.0
  Ni  Ni8  1  0.28206800  0.26812700  0.71694000  1.0
  Ni  Ni9  1  0.93487200  0.94881300  0.71694000  1.0
  Sn  Sn10  1  0.40726500  0.09273500  0.00000000  1.0
  Sn  Sn11  1  0.09273500  0.40726500  0.00000000  1.0
  Sn  Sn12  1  0.59273500  0.59273500  0.68547000  1.0
  Sn  Sn13  1  0.90726500  0.90726500  0.31453000  1.0

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