Ce3Ho2Sn3C

High-Entropy Materials HEA

MP-ID: mp-3296503 · Space group: P6_3/mcm (#193)

Materials Project API

Basic Information

Formula

Ce3Ho2Sn3C

MP-ID

mp-3296503

Elements

Sites

Density

7.7695

g/cm³

Volume

478.04

Å³

Cell a

9.1148

Cell b

9.1148

Cell c

6.6440

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mcm

Point Group

6/mmm

Crystal System

Hexagonal

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
11.21	7.8937	2.5	(1,0,-1,0)
19.48	4.5574	7.6	(2,-1,-1,0)
26.84	3.3220	18.3	(0,0,0,2)
29.17	3.0619	31.0	(1,0,-1,2)
29.95	2.9835	56.2	(3,-1,-2,0)
32.91	2.7217	97.1	(3,-1,-2,1)
32.91	2.7217	48.5	(2,1,-3,1)
33.38	2.6845	100.0	(2,-1,-1,2)
34.07	2.6312	33.2	(3,0,-3,0)
35.31	2.5416	18.3	(2,0,-2,2)
39.55	2.2787	4.0	(4,-2,-2,0)
40.65	2.2197	1.4	(3,-1,-2,2)
41.24	2.1893	13.2	(4,-1,-3,0)
41.91	2.1555	19.1	(4,-2,-2,1)
43.52	2.0793	7.8	(4,-1,-3,1)
43.90	2.0626	5.9	(3,0,-3,2)
45.99	1.9734	1.3	(4,0,-4,0)
48.44	1.8791	24.5	(4,-2,-2,2)
51.38	1.7783	41.8	(3,-1,-2,3)
52.37	1.7472	2.1	(5,-2,-3,1)
53.17	1.7225	22.0	(5,-1,-4,0)
54.05	1.6966	16.4	(4,0,-4,2)
55.31	1.6610	15.7	(0,0,0,4)
58.00	1.5900	2.8	(5,-2,-3,2)

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Energy Properties

Formation Energy/atom

-0.74946

eV/atom

Energy/atom

-27.69061

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-27.6906

eV/atom

Volume/atom

26.56

Å³

c/a Ratio

0.7289

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

4.3187

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.009030

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ce · 0.333

Element Family

Lanthanide

Solute Fraction

0.667

Interstitial Fraction

0.111

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.3108

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.8979

J/mol·K

Ω Parameter

0.4830

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

20.327%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5004

smaller = more stable mixing

VEC

5.222

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-30.109

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9455

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfomp

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296503

Reference Citation

The crystal structure and related material properties of Ce3Ho2Sn3C were obtained from the Materials Project database (MP-ID: mp-3296503, 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_Ce3Ho2Sn3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.11484107
_cell_length_b   9.11484052
_cell_length_c   6.64404041
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000562
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce3Ho2Sn3C
_chemical_formula_sum   'Ce6 Ho4 Sn6 C2'
_cell_volume   478.03648827
_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  0.78185822  0.78185822  0.25000000  1.0
  Ce  Ce1  1  0.21814178  0.00000000  0.25000000  1.0
  Ce  Ce2  1  0.00000000  0.21814178  0.25000000  1.0
  Ce  Ce3  1  0.21814178  0.21814178  0.75000000  1.0
  Ce  Ce4  1  0.78185822  0.00000000  0.75000000  1.0
  Ce  Ce5  1  0.00000000  0.78185822  0.75000000  1.0
  Ho  Ho6  1  0.66666700  0.33333300  0.50000000  1.0
  Ho  Ho7  1  0.33333300  0.66666700  0.50000000  1.0
  Ho  Ho8  1  0.33333300  0.66666700  0.00000000  1.0
  Ho  Ho9  1  0.66666700  0.33333300  0.00000000  1.0
  Sn  Sn10  1  0.40975502  0.40975502  0.25000000  1.0
  Sn  Sn11  1  0.59024498  0.00000000  0.25000000  1.0
  Sn  Sn12  1  0.00000000  0.59024498  0.25000000  1.0
  Sn  Sn13  1  0.59024498  0.59024498  0.75000000  1.0
  Sn  Sn14  1  0.40975502  0.00000000  0.75000000  1.0
  Sn  Sn15  1  0.00000000  0.40975502  0.75000000  1.0
  C  C16  1  0.00000000  0.00000000  0.50000000  1.0
  C  C17  1  0.00000000  0.00000000  0.00000000  1.0

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