Basic Information
Formula
Ho2Co3Si5
MP-ID
mp-977345
Elements
3
Sites
20
Density
7.4177
g/cm³
Volume
289.72
ų
Cell a
7.8120
Å
Cell b
7.8119
Å
Cell c
7.8186
Å
α Angle
138.84
°
β Angle
105.95
°
γ Angle
88.37
°
Space Group
Ibam
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oI
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 |
|---|---|---|---|
| 12.28 | 7.2067 | 1.9 | (1,0,0) |
| 12.28 | 7.2067 | 1.9 | (0,1,-1) |
| 18.86 | 4.7061 | 68.1 | (1,-1,1) |
| 24.57 | 3.6227 | 54.4 | (1,1,-2) |
| 24.57 | 3.6226 | 54.3 | (1,1,0) |
| 24.60 | 3.6190 | 54.2 | (2,0,-1) |
| 24.60 | 3.6190 | 54.2 | (0,2,-1) |
| 24.71 | 3.6034 | 5.2 | (2,0,0) |
| 24.71 | 3.6034 | 5.2 | (0,2,-2) |
| 25.66 | 3.4714 | 15.3 | (2,1,-1) |
| 25.66 | 3.4714 | 15.4 | (1,2,-2) |
| 29.57 | 3.0212 | 8.5 | (2,-1,1) |
| 29.57 | 3.0212 | 8.5 | (1,-2,2) |
| 31.95 | 2.8010 | 86.1 | (2,2,-2) |
| 32.59 | 2.7473 | 89.8 | (1,-1,-1) |
| 34.93 | 2.5684 | 5.9 | (1,0,-2) |
| 34.93 | 2.5684 | 5.8 | (0,1,1) |
| 34.97 | 2.5658 | 6.1 | (2,-1,-1) |
| 34.97 | 2.5658 | 6.1 | (1,-2,0) |
| 36.42 | 2.4667 | 3.0 | (2,0,-2) |
| 36.42 | 2.4666 | 3.0 | (0,2,0) |
| 36.65 | 2.4519 | 92.3 | (0,2,-3) |
| 36.65 | 2.4518 | 92.4 | (2,0,1) |
| 36.70 | 2.4485 | 92.5 | (3,-1,0) |
Energy Properties
Formation Energy/atom
-0.72457
eV/atom
Energy/atom
-6.49679
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-15.6572
eV/atom
Volume/atom
14.49
ų
c/a Ratio
1.0008
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
1.2257
μB
Mag. Ordering
FM
Mag. Sites
2
Magnetization/Volume
0.004230
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Si · 0.500
Element Family
Metalloid-Nonmetal
Solute Fraction
0.500
Interstitial Fraction
0.500
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0297
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.5605
J/mol·K
Ω Parameter
0.7014
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
17.001%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2651
smaller = more stable mixing
VEC
6.900
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-21.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9372
SS Former
0
Phase Tendency
AM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-977345
Reference Citation
The crystal structure and related material properties of Ho2Co3Si5 were obtained from the Materials Project database (MP-ID: mp-977345, 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_Ho2Co3Si5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.81196144
_cell_length_b 7.81189333
_cell_length_c 7.81855263
_cell_angle_alpha 138.83786063
_cell_angle_beta 105.94842214
_cell_angle_gamma 88.36768673
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho2Co3Si5
_chemical_formula_sum 'Ho4 Co6 Si10'
_cell_volume 289.71700971
_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 0.59966840 0.86603071 0.73388164 1.0
Ho Ho1 1 0.13211795 0.36566709 0.76607359 1.0
Ho Ho2 1 0.86796314 0.63433977 0.23399984 1.0
Ho Ho3 1 0.40026055 0.13397359 0.26604544 1.0
Co Co4 1 0.00011062 0.25016217 0.24994563 1.0
Co Co5 1 -0.00007455 0.74987276 0.75005555 1.0
Co Co6 1 0.25363540 0.86089108 0.39104550 1.0
Co Co7 1 0.53008088 0.63744259 0.89102311 1.0
Co Co8 1 0.46989042 0.36254089 0.10897292 1.0
Co Co9 1 0.74634461 0.13908963 0.60895532 1.0
Si Si10 1 0.77324598 0.02307926 0.24995495 1.0
Si Si11 1 0.22677965 0.97694997 0.75004991 1.0
Si Si12 1 0.77365812 0.52367841 0.74990637 1.0
Si Si13 1 0.94229136 0.10026031 0.84213790 1.0
Si Si14 1 0.05771261 0.89975260 0.15785978 1.0
Si Si15 1 0.49952636 0.24972773 0.75013678 1.0
Si Si16 1 0.50040058 0.75020318 0.24986087 1.0
Si Si17 1 0.74188647 0.39983449 0.34215693 1.0
Si Si18 1 0.25813425 0.60016917 0.65785462 1.0
Si Si19 1 0.22636820 0.47633460 0.25008334 1.0
