Basic Information
Formula
HoGa2Ni
MP-ID
mp-1025433
Elements
3
Sites
8
Density
8.9822
g/cm³
Volume
134.24
ų
Cell a
4.0714
Å
Cell b
5.4000
Å
Cell c
6.5923
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
112.15
°
Space Group
Cmcm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oC
Stability
Yes
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 |
|---|---|---|---|
| 22.31 | 3.9846 | 7.1 | (0,1,1) |
| 23.59 | 3.7710 | 14.6 | (1,-1,0) |
| 27.05 | 3.2962 | 13.0 | (0,0,2) |
| 27.24 | 3.2733 | 8.0 | (1,-1,1) |
| 32.53 | 2.7522 | 6.6 | (0,1,2) |
| 34.78 | 2.5797 | 17.2 | (1,-2,0) |
| 35.91 | 2.5008 | 7.6 | (0,2,0) |
| 36.20 | 2.4817 | 100.0 | (1,-1,2) |
| 37.44 | 2.4023 | 86.3 | (1,-2,1) |
| 38.50 | 2.3382 | 44.1 | (0,2,1) |
| 44.51 | 2.0357 | 36.3 | (2,-1,0) |
| 44.60 | 2.0315 | 12.6 | (1,-2,2) |
| 45.06 | 2.0118 | 23.8 | (0,1,3) |
| 45.53 | 1.9923 | 4.8 | (0,2,2) |
| 47.91 | 1.8986 | 6.9 | (1,-1,3) |
| 50.33 | 1.8128 | 1.8 | (2,-2,1) |
| 52.84 | 1.7325 | 2.2 | (1,-3,1) |
| 52.86 | 1.7320 | 4.1 | (2,-1,2) |
| 54.88 | 1.6728 | 13.9 | (1,-2,3) |
| 55.68 | 1.6507 | 6.1 | (0,2,3) |
| 55.78 | 1.6481 | 8.7 | (0,0,4) |
| 56.20 | 1.6366 | 3.0 | (2,-2,2) |
| 58.46 | 1.5788 | 3.7 | (2,-3,0) |
| 58.54 | 1.5768 | 1.5 | (1,-3,2) |
Energy Properties
Formation Energy/atom
-0.65023
eV/atom
Energy/atom
-4.75874
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-17.6391
eV/atom
Volume/atom
16.78
ų
c/a Ratio
1.6192
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
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
0.8791
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
13.662%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2687
smaller = more stable mixing
VEC
6.750
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-10.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9464
SS Former
0
Phase Tendency
IM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1025433
Reference Citation
The crystal structure and related material properties of HoGa2Ni were obtained from the Materials Project database (MP-ID: mp-1025433, 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_HoGa2Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.07134961
_cell_length_b 5.40003395
_cell_length_c 6.59229292
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 112.14639839
_symmetry_Int_Tables_number 1
_chemical_formula_structural HoGa2Ni
_chemical_formula_sum 'Ho2 Ga4 Ni2'
_cell_volume 134.24164140
_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
Ho Ho0 1 0.42890692 0.85781483 0.25000000 1.0
Ho Ho1 1 0.57109308 0.14218517 0.75000000 1.0
Ga Ga2 1 0.14544012 0.29088224 0.05453010 1.0
Ga Ga3 1 0.85455988 0.70911776 0.94546990 1.0
Ga Ga4 1 0.85455988 0.70911776 0.55453010 1.0
Ga Ga5 1 0.14544012 0.29088224 0.44546990 1.0
Ni Ni6 1 0.71088614 0.42177228 0.25000000 1.0
Ni Ni7 1 0.28911386 0.57822772 0.75000000 1.0
