Basic Information
Formula
Ho4Ga16Co3
MP-ID
mp-978039
Elements
3
Sites
23
Density
8.3531
g/cm³
Volume
388.06
ų
Cell a
5.9524
Å
Cell b
5.9524
Å
Cell c
10.9527
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tP
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 |
|---|---|---|---|
| 8.07 | 10.9527 | 7.1 | (0,0,1) |
| 16.19 | 5.4763 | 8.0 | (0,0,2) |
| 21.11 | 4.2090 | 38.8 | (1,1,0) |
| 22.63 | 3.9289 | 1.5 | (1,1,1) |
| 24.38 | 3.6509 | 3.3 | (0,0,3) |
| 26.71 | 3.3372 | 10.5 | (1,1,2) |
| 30.02 | 2.9762 | 3.6 | (0,2,0) |
| 30.03 | 2.9762 | 3.6 | (2,0,0) |
| 31.14 | 2.8721 | 14.6 | (0,2,1) |
| 31.14 | 2.8720 | 14.6 | (2,0,1) |
| 32.46 | 2.7579 | 48.4 | (1,1,3) |
| 32.71 | 2.7382 | 1.1 | (0,0,4) |
| 34.29 | 2.6150 | 57.0 | (0,2,2) |
| 34.29 | 2.6150 | 57.0 | (2,0,2) |
| 34.68 | 2.5867 | 1.2 | (1,2,1) |
| 34.68 | 2.5867 | 1.2 | (2,1,1) |
| 39.05 | 2.3068 | 50.0 | (0,2,-3) |
| 39.05 | 2.3068 | 50.0 | (0,2,3) |
| 39.05 | 2.3068 | 100.0 | (2,0,3) |
| 41.21 | 2.1905 | 57.6 | (0,0,5) |
| 42.01 | 2.1509 | 1.5 | (1,2,3) |
| 42.01 | 2.1509 | 1.5 | (2,1,3) |
| 42.98 | 2.1045 | 71.5 | (2,2,0) |
| 42.98 | 2.1045 | 71.5 | (2,-2,0) |
Energy Properties
Formation Energy/atom
-0.49854
eV/atom
Energy/atom
-4.33509
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-15.9272
eV/atom
Volume/atom
16.87
ų
c/a Ratio
1.8401
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0000
μB
Mag. Ordering
NM
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 · 0.696
Element Family
PostTransition-Noble
Solute Fraction
0.304
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.8223
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
6.8370
J/mol·K
Ω Parameter
10.1923
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.450%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2252
smaller = more stable mixing
VEC
5.174
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-0.498
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7485
SS Former
0
Phase Tendency
IM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-978039
Reference Citation
The crystal structure and related material properties of Ho4Ga16Co3 were obtained from the Materials Project database (MP-ID: mp-978039, 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_Ho4Ga16Co3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.95236779
_cell_length_b 5.95238154
_cell_length_c 10.95266140
_cell_angle_alpha 90.00000576
_cell_angle_beta 90.00000075
_cell_angle_gamma 89.99999528
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho4Ga16Co3
_chemical_formula_sum 'Ho4 Ga16 Co3'
_cell_volume 388.06116291
_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
Ho Ho0 1 -0.00000022 0.49999969 0.19507508 1.0
Ho Ho1 1 0.00000023 0.49999984 0.80492500 1.0
Ho Ho2 1 0.50000013 -0.00000002 0.80492280 1.0
Ho Ho3 1 0.50000025 0.00000022 0.19507678 1.0
Ga Ga4 1 -0.00000004 -0.00000004 0.21890592 1.0
Ga Ga5 1 0.00000003 0.00000001 0.78109408 1.0
Ga Ga6 1 0.49999995 0.50000019 0.19493245 1.0
Ga Ga7 1 0.49999990 0.49999988 0.80506758 1.0
Ga Ga8 1 0.28109599 0.28109898 0.00000017 1.0
Ga Ga9 1 0.71890381 0.71890095 -0.00000011 1.0
Ga Ga10 1 0.28109604 0.71890104 0.00000015 1.0
Ga Ga11 1 0.71890392 0.28109901 0.00000002 1.0
Ga Ga12 1 0.24951596 0.24951391 0.38460011 1.0
Ga Ga13 1 0.75048412 0.75048623 0.38460012 1.0
Ga Ga14 1 0.24951559 0.75048615 0.61539984 1.0
Ga Ga15 1 0.75048429 0.24951377 0.61539987 1.0
Ga Ga16 1 0.75048441 0.75048622 0.61539989 1.0
Ga Ga17 1 0.24951570 0.24951385 0.61539992 1.0
Ga Ga18 1 0.24951583 0.75048614 0.38460016 1.0
Ga Ga19 1 0.75048409 0.24951379 0.38460013 1.0
Co Co20 1 0.00000005 0.50000015 0.50000000 1.0
Co Co21 1 0.50000006 -0.00000000 0.49999997 1.0
Co Co22 1 -0.00000010 0.00000005 0.00000006 1.0
