Basic Information
Formula
Ce12InPt7
MP-ID
mp-637609
Elements
3
Sites
40
Density
10.2177
g/cm³
Volume
1,027.68
ų
Cell a
11.0902
Å
Cell b
11.0902
Å
Cell c
11.0902
Å
α Angle
114.57
°
β Angle
114.57
°
γ Angle
99.70
°
Space Group
I4/mcm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tI
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 |
|---|---|---|---|
| 10.44 | 8.4768 | 4.0 | (1,-1,0) |
| 12.38 | 7.1510 | 10.2 | (1,1,-1) |
| 14.78 | 5.9940 | 3.2 | (1,-1,1) |
| 16.22 | 5.4659 | 7.6 | (1,1,-2) |
| 17.67 | 5.0201 | 1.3 | (2,-1,-1) |
| 20.96 | 4.2384 | 6.4 | (2,-2,0) |
| 23.47 | 3.7909 | 13.0 | (2,-2,1) |
| 24.99 | 3.5626 | 12.8 | (2,1,-3) |
| 26.61 | 3.3494 | 2.5 | (3,-1,-2) |
| 31.40 | 2.8492 | 74.1 | (3,-2,-2) |
| 31.67 | 2.8256 | 41.5 | (3,-3,0) |
| 32.39 | 2.7641 | 9.1 | (3,-1,-3) |
| 32.77 | 2.7329 | 22.1 | (2,2,-4) |
| 32.84 | 2.7271 | 44.1 | (4,-1,-2) |
| 33.43 | 2.6806 | 43.0 | (3,-3,1) |
| 34.48 | 2.6011 | 100.0 | (4,0,-3) |
| 35.57 | 2.5237 | 17.8 | (3,2,-4) |
| 35.77 | 2.5100 | 4.5 | (4,-2,-2) |
| 36.19 | 2.4823 | 61.9 | (4,-1,-3) |
| 37.74 | 2.3837 | 25.7 | (3,3,-3) |
| 38.28 | 2.3510 | 2.1 | (3,-3,2) |
| 39.22 | 2.2969 | 8.5 | (4,0,-4) |
| 39.26 | 2.2947 | 4.8 | (3,3,-4) |
| 40.38 | 2.2334 | 1.5 | (4,-2,-3) |
Energy Properties
Formation Energy/atom
-0.79219
eV/atom
Energy/atom
-6.61721
eV/atom
Energy above Hull
0.0055
eV/atom
Uncorrected Energy
-6.6172
eV/atom
Volume/atom
25.69
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
12.5018
μB
Mag. Ordering
FM
Mag. Sites
24
Magnetization/Volume
0.012170
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ce · 0.600
Element Family
Lanthanide
Solute Fraction
0.400
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.8237
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
6.8484
J/mol·K
Ω Parameter
0.1713
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
12.874%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.5477
smaller = more stable mixing
VEC
5.450
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-55.027
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7498
SS Former
0
Phase Tendency
AM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-637609
Reference Citation
The crystal structure and related material properties of Ce12InPt7 were obtained from the Materials Project database (MP-ID: mp-637609, 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_Ce12InPt7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.09021574
_cell_length_b 11.09021574
_cell_length_c 11.09021574
_cell_angle_alpha 114.56803204
_cell_angle_beta 114.56803204
_cell_angle_gamma 99.69789437
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ce12InPt7
_chemical_formula_sum 'Ce24 In2 Pt14'
_cell_volume 1027.68413468
_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 0.28567200 0.14737000 0.72072000 1.0
Ce Ce1 1 0.67463300 0.17463300 0.84926600 1.0
Ce Ce2 1 0.57334900 0.43504800 0.72072000 1.0
Ce Ce3 1 0.42665100 0.56495200 0.27928000 1.0
Ce Ce4 1 0.56495200 0.28567200 0.13830200 1.0
Ce Ce5 1 0.78567200 0.06495200 0.13830200 1.0
Ce Ce6 1 0.35263000 0.21432800 0.27928000 1.0
Ce Ce7 1 0.06495200 0.92665100 0.27928000 1.0
Ce Ce8 1 0.92665100 0.64737000 0.86169800 1.0
Ce Ce9 1 0.35377500 0.85377500 0.50000000 1.0
Ce Ce10 1 0.32536700 0.82536700 0.15073400 1.0
Ce Ce11 1 0.64622500 0.14622500 0.50000000 1.0
Ce Ce12 1 0.14622500 0.64622500 0.50000000 1.0
Ce Ce13 1 0.14737000 0.42665100 0.86169800 1.0
Ce Ce14 1 0.85263000 0.57334900 0.13830200 1.0
Ce Ce15 1 0.71432800 0.85263000 0.27928000 1.0
Ce Ce16 1 0.21432800 0.93504800 0.86169800 1.0
Ce Ce17 1 0.64737000 0.78567200 0.72072000 1.0
Ce Ce18 1 0.07334900 0.35263000 0.13830200 1.0
Ce Ce19 1 0.17463300 0.32536700 0.50000000 1.0
Ce Ce20 1 0.82536700 0.67463300 0.50000000 1.0
Ce Ce21 1 0.93504800 0.07334900 0.72072000 1.0
Ce Ce22 1 0.85377500 0.35377500 0.50000000 1.0
Ce Ce23 1 0.43504800 0.71432800 0.86169800 1.0
In In24 1 0.50000000 0.50000000 0.00000000 1.0
In In25 1 0.00000000 0.00000000 0.00000000 1.0
Pt Pt26 1 0.51845000 0.01845000 0.15152900 1.0
Pt Pt27 1 0.63308000 0.48155000 0.50000000 1.0
Pt Pt28 1 0.36692000 0.51845000 0.50000000 1.0
Pt Pt29 1 0.37409500 0.12590500 0.50000000 1.0
Pt Pt30 1 0.12590500 0.62590500 0.75181000 1.0
Pt Pt31 1 0.86692000 0.36692000 0.84847100 1.0
Pt Pt32 1 0.48155000 0.98155000 0.84847100 1.0
Pt Pt33 1 0.13308000 0.63308000 0.15152900 1.0
Pt Pt34 1 0.01845000 0.86692000 0.50000000 1.0
Pt Pt35 1 0.62590500 0.87409500 0.50000000 1.0
Pt Pt36 1 0.87409500 0.37409500 0.24819000 1.0
Pt Pt37 1 0.25000000 0.25000000 0.00000000 1.0
Pt Pt38 1 0.75000000 0.75000000 0.00000000 1.0
Pt Pt39 1 0.98155000 0.13308000 0.50000000 1.0
