Basic Information
Formula
Ce6In14Pt11
MP-ID
mp-645893
Elements
3
Sites
31
Density
11.2410
g/cm³
Volume
678.64
ų
Cell a
11.6654
Å
Cell b
11.6654
Å
Cell c
15.2026
Å
α Angle
61.09
°
β Angle
61.09
°
γ Angle
22.14
°
Space Group
Cm
Point Group
m
Crystal System
Monoclinic
Bravais Lattice
mC
Stability
No
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 15.62 | 5.6739 | 4.1 | (2,2,1) |
| 16.16 | 5.4837 | 2.2 | (2,2,2) |
| 17.53 | 5.0592 | 1.1 | (1,1,3) |
| 17.80 | 4.9817 | 2.1 | (2,2,0) |
| 20.13 | 4.4102 | 7.4 | (0,0,3) |
| 20.32 | 4.3713 | 8.0 | (1,0,0) |
| 20.70 | 4.2910 | 5.8 | (1,0,1) |
| 22.09 | 4.0232 | 6.1 | (1,0,-1) |
| 23.02 | 3.8638 | 2.9 | (2,1,1) |
| 23.86 | 3.7290 | 6.8 | (2,2,4) |
| 23.96 | 3.7144 | 18.1 | (2,1,0) |
| 24.03 | 3.7034 | 1.8 | (2,1,2) |
| 24.20 | 3.6771 | 27.3 | (3,3,1) |
| 25.61 | 3.4783 | 5.6 | (1,0,-2) |
| 25.81 | 3.4523 | 3.2 | (1,1,-3) |
| 26.78 | 3.3284 | 2.9 | (2,1,3) |
| 27.13 | 3.2873 | 6.1 | (1,0,3) |
| 27.20 | 3.2785 | 1.9 | (2,2,-2) |
| 29.37 | 3.0409 | 7.2 | (3,2,3) |
| 29.40 | 3.0375 | 6.5 | (2,2,5) |
| 30.30 | 2.9494 | 28.6 | (1,0,-3) |
| 30.38 | 2.9421 | 6.2 | (1,1,5) |
| 30.82 | 2.9014 | 5.4 | (3,3,-1) |
| 30.85 | 2.8983 | 1.8 | (2,1,4) |
Energy Properties
Formation Energy/atom
-0.68113
eV/atom
Energy/atom
-5.23056
eV/atom
Energy above Hull
0.0531
eV/atom
Uncorrected Energy
-5.2306
eV/atom
Volume/atom
21.89
ų
c/a Ratio
1.3032
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
3.3200
μB
Mag. Ordering
FM
Mag. Sites
6
Magnetization/Volume
0.004890
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
In · 0.452
Element Family
PostTransition-Noble
Solute Fraction
0.548
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0445
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.6839
J/mol·K
Ω Parameter
0.3373
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
10.775%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4130
smaller = more stable mixing
VEC
5.484
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-28.966
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9507
SS Former
0
Phase Tendency
AM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-645893
Reference Citation
The crystal structure and related material properties of Ce6In14Pt11 were obtained from the Materials Project database (MP-ID: mp-645893, 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_Ce6In14Pt11
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.66538439
_cell_length_b 11.66538439
_cell_length_c 15.20260537
_cell_angle_alpha 61.09448206
_cell_angle_beta 61.09448206
_cell_angle_gamma 22.14365629
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ce6In14Pt11
_chemical_formula_sum 'Ce6 In14 Pt11'
_cell_volume 678.64480022
_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
Ce Ce0 1 0.63425100 0.63425100 0.19729700 1.0
Ce Ce1 1 0.37266700 0.37266700 0.80955600 1.0
Ce Ce2 1 0.12199900 0.12199900 0.63870800 1.0
Ce Ce3 1 0.88364300 0.88364300 0.35747100 1.0
Ce Ce4 1 0.14329200 0.14329200 0.36776600 1.0
Ce Ce5 1 0.86284200 0.86284200 0.62986300 1.0
In In6 1 0.62030200 0.62030200 0.97693400 1.0
In In7 1 0.38543000 0.38543000 0.02531000 1.0
In In8 1 0.23160200 0.23160200 0.75676200 1.0
In In9 1 0.49205400 0.49205400 0.20146300 1.0
In In10 1 0.46515400 0.46515400 0.43314900 1.0
In In11 1 0.93996700 0.93996700 0.10032100 1.0
In In12 1 0.54063400 0.54063400 0.56703400 1.0
In In13 1 0.51685600 0.51685600 0.79780800 1.0
In In14 1 0.20620000 0.20620000 0.99661200 1.0
In In15 1 0.77478100 0.77478100 0.24194600 1.0
In In16 1 0.26532400 0.26532400 0.41743600 1.0
In In17 1 0.06699100 0.06699100 0.89860400 1.0
In In18 1 0.79888000 0.79888000 0.00415600 1.0
In In19 1 0.73909200 0.73909200 0.58170400 1.0
Pt Pt20 1 0.68072400 0.68072400 0.45640700 1.0
Pt Pt21 1 0.36571300 0.36571300 0.21986600 1.0
Pt Pt22 1 0.06544400 0.06544400 0.09851100 1.0
Pt Pt23 1 0.76326500 0.76326500 0.85040700 1.0
Pt Pt24 1 0.02962900 0.02962900 0.30246800 1.0
Pt Pt25 1 0.32468600 0.32468600 0.54148600 1.0
Pt Pt26 1 0.94097100 0.94097100 0.90299500 1.0
Pt Pt27 1 0.97625800 0.97625800 0.69977900 1.0
Pt Pt28 1 0.24256600 0.24256600 0.14875500 1.0
Pt Pt29 1 0.00297600 0.00297600 0.50090500 1.0
Pt Pt30 1 0.64187400 0.64187400 0.78076500 1.0
