Basic Information
Formula
CeGa2Ni
MP-ID
mp-1025446
Elements
3
Sites
8
Density
7.4680
g/cm³
Volume
150.43
ų
Cell a
8.9557
Å
Cell b
8.9557
Å
Cell c
4.1424
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
153.08
°
Space Group
Cmmm
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 |
|---|---|---|---|
| 10.16 | 8.7097 | 3.8 | (1,-1,0) |
| 20.39 | 4.3549 | 1.7 | (2,-2,0) |
| 26.32 | 3.3867 | 13.3 | (2,-1,0) |
| 29.77 | 3.0014 | 29.6 | (2,-2,1) |
| 30.80 | 2.9032 | 4.7 | (3,-3,0) |
| 30.86 | 2.8977 | 20.0 | (1,0,1) |
| 33.52 | 2.6734 | 4.1 | (3,-2,0) |
| 34.20 | 2.6219 | 100.0 | (2,-1,1) |
| 37.84 | 2.3775 | 14.3 | (3,-3,1) |
| 40.14 | 2.2462 | 8.3 | (3,-2,1) |
| 41.47 | 2.1774 | 1.8 | (4,-4,0) |
| 42.30 | 2.1368 | 38.2 | (4,-3,0) |
| 43.41 | 2.0847 | 28.7 | (1,1,0) |
| 43.70 | 2.0712 | 28.1 | (0,0,2) |
| 47.15 | 1.9274 | 12.3 | (4,-4,1) |
| 47.90 | 1.8991 | 3.4 | (4,-3,1) |
| 51.74 | 1.7670 | 4.1 | (2,-1,2) |
| 53.52 | 1.7122 | 11.4 | (3,-1,1) |
| 54.16 | 1.6933 | 2.0 | (4,-2,0) |
| 54.42 | 1.6861 | 1.9 | (3,-3,2) |
| 56.18 | 1.6373 | 1.9 | (3,-2,2) |
| 56.97 | 1.6164 | 2.0 | (5,-4,1) |
| 57.38 | 1.6058 | 5.8 | (5,-5,1) |
| 58.92 | 1.5674 | 7.6 | (4,-2,1) |
Energy Properties
Formation Energy/atom
-0.57611
eV/atom
Energy/atom
-5.01943
eV/atom
Energy above Hull
0.0219
eV/atom
Uncorrected Energy
-17.0693
eV/atom
Volume/atom
18.80
ų
c/a Ratio
0.4626
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
1.6477
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.010950
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ga · 0.500
Element Family
PostTransition-Noble
Solute Fraction
0.500
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0397
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.6442
J/mol·K
Ω Parameter
0.2443
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
16.351%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3159
smaller = more stable mixing
VEC
4.750
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-30.087
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9464
SS Former
0
Phase Tendency
AM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1025446
Reference Citation
The crystal structure and related material properties of CeGa2Ni were obtained from the Materials Project database (MP-ID: mp-1025446, 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_CeGa2Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.95572641
_cell_length_b 8.95572641
_cell_length_c 4.14243002
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 153.07926644
_symmetry_Int_Tables_number 1
_chemical_formula_structural CeGa2Ni
_chemical_formula_sum 'Ce2 Ga4 Ni2'
_cell_volume 150.42581269
_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 0.35884669 0.64115331 0.50000000 1.0
Ce Ce1 1 0.64115331 0.35884669 0.50000000 1.0
Ga Ga2 1 0.20989930 0.79010070 -0.00000000 1.0
Ga Ga3 1 0.79010070 0.20989930 0.00000000 1.0
Ga Ga4 1 0.00000000 -0.00000000 0.50000000 1.0
Ga Ga5 1 0.50000000 0.50000000 -0.00000000 1.0
Ni Ni6 1 0.07283892 0.92716108 0.00000000 1.0
Ni Ni7 1 0.92716108 0.07283892 -0.00000000 1.0
