Basic Information
Formula
CeIn4Pd
MP-ID
mp-642458
Elements
3
Sites
12
Density
8.0729
g/cm³
Volume
290.36
ų
Cell a
8.8658
Å
Cell b
8.8658
Å
Cell c
7.3465
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
149.81
°
Space Group
Cmcm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oC
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 |
|---|---|---|---|
| 10.33 | 8.5599 | 5.3 | (1,-1,0) |
| 15.90 | 5.5748 | 1.8 | (1,-1,1) |
| 27.66 | 3.2251 | 4.4 | (2,-1,1) |
| 31.35 | 2.8533 | 1.8 | (3,-3,0) |
| 31.56 | 2.8349 | 100.0 | (1,0,2) |
| 32.11 | 2.7874 | 6.7 | (2,-2,2) |
| 32.56 | 2.7503 | 45.3 | (3,-2,0) |
| 33.70 | 2.6597 | 24.6 | (3,-3,1) |
| 34.83 | 2.5757 | 34.0 | (3,-2,1) |
| 34.95 | 2.5673 | 12.3 | (2,-1,2) |
| 38.23 | 2.3544 | 3.7 | (1,-1,3) |
| 39.01 | 2.3086 | 39.8 | (1,1,0) |
| 40.01 | 2.2534 | 32.8 | (3,-3,2) |
| 41.00 | 2.2016 | 8.8 | (3,-2,2) |
| 41.80 | 2.1612 | 6.5 | (4,-3,0) |
| 42.10 | 2.1463 | 12.7 | (1,0,3) |
| 42.53 | 2.1255 | 5.0 | (2,-2,3) |
| 44.80 | 2.0229 | 4.6 | (2,-1,3) |
| 49.02 | 1.8583 | 2.8 | (3,-3,3) |
| 49.28 | 1.8491 | 1.2 | (4,-4,2) |
| 49.64 | 1.8366 | 12.6 | (0,0,4) |
| 49.86 | 1.8289 | 3.6 | (3,-2,3) |
| 51.39 | 1.7780 | 3.5 | (3,-1,2) |
| 51.99 | 1.7588 | 2.1 | (5,-4,0) |
Energy Properties
Formation Energy/atom
-0.43769
eV/atom
Energy/atom
-4.12995
eV/atom
Energy above Hull
0.0147
eV/atom
Uncorrected Energy
-4.1299
eV/atom
Volume/atom
24.20
ų
c/a Ratio
0.8286
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
1.9416
μB
Mag. Ordering
FM
Mag. Sites
2
Magnetization/Volume
0.006690
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
In · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.616
Family
In-rich Multi-Component
Matrix Element
In · 0.667
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-642458
Reference Citation
The crystal structure and related material properties of CeIn4Pd were obtained from the Materials Project database (MP-ID: mp-642458, 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_CeIn4Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.86574869
_cell_length_b 8.86574869
_cell_length_c 7.34651600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 149.81247030
_symmetry_Int_Tables_number 1
_chemical_formula_structural CeIn4Pd
_chemical_formula_sum 'Ce2 In8 Pd2'
_cell_volume 290.35881885
_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 0.38230400 0.61769600 0.75000000 1.0
Ce Ce1 1 0.61769600 0.38230400 0.25000000 1.0
In In2 1 0.00000000 0.00000000 0.50000000 1.0
In In3 1 0.81735600 0.18264400 0.45356600 1.0
In In4 1 0.81735600 0.18264400 0.04643400 1.0
In In5 1 0.43193300 0.56806700 0.25000000 1.0
In In6 1 0.18264400 0.81735600 0.95356600 1.0
In In7 1 0.18264400 0.81735600 0.54643400 1.0
In In8 1 0.00000000 0.00000000 0.00000000 1.0
In In9 1 0.56806700 0.43193300 0.75000000 1.0
Pd Pd10 1 0.27551600 0.72448400 0.25000000 1.0
Pd Pd11 1 0.72448400 0.27551600 0.75000000 1.0
