Ce(SnPt)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-672267 · Space group: P4/nmm (#129)

Materials Project API

Basic Information

Formula

Ce(SnPt)2

MP-ID

mp-672267

Elements

Sites

Density

11.2318

g/cm³

Volume

227.00

Å³

Cell a

4.6306

Cell b

4.6306

Cell c

10.5864

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4/nmm

Point Group

4/mmm

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
8.35	10.5864	2.2	(0,0,1)
16.75	5.2932	14.1	(0,0,2)
20.94	4.2425	9.6	(1,0,1)
25.24	3.5288	2.8	(0,0,3)
25.56	3.4852	5.3	(1,0,2)
27.24	3.2743	6.9	(1,1,0)
28.53	3.1281	7.5	(1,1,1)
31.88	2.8067	56.3	(1,0,3)
32.14	2.7846	100.0	(1,1,2)
33.87	2.6466	2.0	(0,0,4)
38.90	2.3153	81.3	(2,0,0)
42.62	2.1213	5.7	(2,0,2)
43.99	2.0583	47.1	(1,1,4)
44.58	2.0324	2.9	(2,1,1)
46.94	1.9358	2.1	(2,0,3)
47.12	1.9285	2.1	(2,1,2)
47.20	1.9255	23.1	(1,0,5)
51.14	1.7860	30.3	(2,1,3)
51.82	1.7644	1.5	(0,0,6)
52.51	1.7426	2.2	(2,0,4)
56.18	1.6372	28.4	(2,2,0)
59.06	1.5641	2.3	(2,2,2)
59.13	1.5625	1.2	(2,0,5)
59.51	1.5533	13.6	(1,1,6)

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Energy Properties

Formation Energy/atom

-0.78862

eV/atom

Energy/atom

-6.00829

eV/atom

Energy above Hull

0.0308

eV/atom

Uncorrected Energy

-6.0083

eV/atom

Volume/atom

22.70

Å³

c/a Ratio

2.2862

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.8530

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.008160

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sn · 0.400

Element Family

PostTransition-Noble

Solute Fraction

0.600

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0549

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.7706

J/mol·K

Ω Parameter

0.3089

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.030%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4248

smaller = more stable mixing

VEC

6.200

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-34.984

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9602

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.612

Family

Sn-rich Multi-Component

Matrix Element

Sn · 0.400

Related Tasks

Related computation task IDs (5)

aaadmzeu aaadsyia aaaefsho aaaetwrs aaafsdoa

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-672267

Reference Citation

The crystal structure and related material properties of Ce(SnPt)2 were obtained from the Materials Project database (MP-ID: mp-672267, 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(SnPt)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63060700
_cell_length_b   4.63060700
_cell_length_c   10.58639200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce(SnPt)2
_chemical_formula_sum   'Ce2 Sn4 Pt4'
_cell_volume   226.99893477
_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  0.24372400  1.0
  Ce  Ce1  1  0.50000000  0.00000000  0.75627600  1.0
  Sn  Sn2  1  0.50000000  0.50000000  0.50000000  1.0
  Sn  Sn3  1  0.00000000  0.00000000  0.50000000  1.0
  Sn  Sn4  1  0.00000000  0.50000000  0.87441700  1.0
  Sn  Sn5  1  0.50000000  0.00000000  0.12558300  1.0
  Pt  Pt6  1  0.50000000  0.50000000  0.00000000  1.0
  Pt  Pt7  1  0.00000000  0.00000000  0.00000000  1.0
  Pt  Pt8  1  0.00000000  0.50000000  0.63007100  1.0
  Pt  Pt9  1  0.50000000  0.00000000  0.36992900  1.0

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