Ho8Ta5Ti7Ge16
High-Entropy Materials HEAMP-ID: mp-3292152 · Space group: P1 (#1)
Basic Information
Formula
Ho8Ta5Ti7Ge16
MP-ID
mp-3292152
Elements
4
Sites
36
Density
9.3246
g/cm³
Volume
662.73
ų
Cell a
7.1216
Å
Cell b
7.1155
Å
Cell c
13.0783
Å
α Angle
90.02
°
β Angle
90.10
°
γ Angle
89.99
°
Space Group
P1
Point Group
1
Crystal System
Triclinic
Bravais Lattice
aP
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 |
|---|---|---|---|
| 6.76 | 13.0783 | 14.9 | (0,0,1) |
| 12.43 | 7.1216 | 4.4 | (1,0,0) |
| 12.44 | 7.1155 | 4.4 | (0,1,0) |
| 13.54 | 6.5392 | 3.8 | (0,0,2) |
| 14.15 | 6.2589 | 17.0 | (1,0,-1) |
| 14.17 | 6.2510 | 12.0 | (0,1,-1) |
| 14.17 | 6.2499 | 5.9 | (1,0,1) |
| 14.17 | 6.2496 | 12.5 | (0,1,1) |
| 17.62 | 5.0341 | 10.7 | (1,1,0) |
| 17.62 | 5.0330 | 9.1 | (1,-1,0) |
| 18.40 | 4.8208 | 5.6 | (1,0,-2) |
| 18.42 | 4.8154 | 3.3 | (0,1,-2) |
| 18.43 | 4.8141 | 2.9 | (0,1,2) |
| 18.88 | 4.7003 | 19.1 | (1,1,-1) |
| 18.89 | 4.6988 | 31.3 | (1,-1,-1) |
| 18.90 | 4.6959 | 28.8 | (1,1,1) |
| 18.90 | 4.6956 | 18.9 | (1,-1,1) |
| 20.37 | 4.3594 | 1.5 | (0,0,3) |
| 22.27 | 3.9917 | 6.7 | (1,1,-2) |
| 22.30 | 3.9865 | 5.9 | (1,-1,2) |
| 23.91 | 3.7210 | 1.3 | (1,0,-3) |
| 25.01 | 3.5608 | 2.7 | (2,0,0) |
| 25.96 | 3.4328 | 4.1 | (0,2,1) |
| 27.04 | 3.2978 | 1.2 | (1,1,-3) |
Energy Properties
Formation Energy/atom
-0.82438
eV/atom
Energy/atom
-23.56121
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-23.5612
eV/atom
Volume/atom
18.41
ų
c/a Ratio
1.8364
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0088
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ge · 0.444
Element Family
PostTransition-Noble
Solute Fraction
0.556
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.2873
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.7022
J/mol·K
Ω Parameter
2.1347
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
13.528%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3189
smaller = more stable mixing
VEC
5.694
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-8.814
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9286
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292152
Reference Citation
The crystal structure and related material properties of Ho8Ta5Ti7Ge16 were obtained from the Materials Project database (MP-ID: mp-3292152, 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_Ho8Ta5Ti7Ge16
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.12160247
_cell_length_b 7.11551834
_cell_length_c 13.07834228
_cell_angle_alpha 90.01582755
_cell_angle_beta 90.09821507
_cell_angle_gamma 89.98781393
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho8Ta5Ti7Ge16
_chemical_formula_sum 'Ho8 Ta5 Ti7 Ge16'
_cell_volume 662.72950269
_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 0.33902995 0.99638259 0.46877205 1.0
Ho Ho1 1 0.50245338 0.83842112 0.71953182 1.0
Ho Ho2 1 0.49633598 0.16155190 0.21925461 1.0
Ho Ho3 1 0.83852342 0.50340015 0.28086769 1.0
Ho Ho4 1 0.16264681 0.49721160 0.78054010 1.0
Ho Ho5 1 0.65993525 0.00331761 0.96929010 1.0
Ho Ho6 1 0.99696058 0.33794955 0.53051482 1.0
Ho Ho7 1 0.00397237 0.66384637 0.03076080 1.0
Ta Ta8 1 0.32854668 0.32823959 0.99937313 1.0
Ta Ta9 1 0.16942874 0.83006478 0.25016145 1.0
Ta Ta10 1 0.83295612 0.16826512 0.75065541 1.0
Ta Ta11 1 0.67036586 0.66928731 0.49985092 1.0
Ta Ta12 1 0.15892983 0.01168234 0.87460201 1.0
Ti Ti13 1 0.48939972 0.65939858 0.12475518 1.0
Ti Ti14 1 0.51084072 0.34030774 0.62452047 1.0
Ti Ti15 1 0.65946273 0.49060282 0.87494617 1.0
Ti Ti16 1 0.34050499 0.50965812 0.37525944 1.0
Ti Ti17 1 0.84021239 0.98971744 0.37482515 1.0
Ti Ti18 1 0.00900706 0.15933910 0.12514216 1.0
Ti Ti19 1 0.99125082 0.83954539 0.62616739 1.0
Ge Ge20 1 0.20017350 0.12583600 0.67717853 1.0
Ge Ge21 1 0.37533578 0.69847791 0.92830450 1.0
Ge Ge22 1 0.62536957 0.30108023 0.42795376 1.0
Ge Ge23 1 0.69778403 0.37469990 0.07213708 1.0
Ge Ge24 1 0.30171263 0.62501218 0.57144178 1.0
Ge Ge25 1 0.80106122 0.87516818 0.17839159 1.0
Ge Ge26 1 0.12487290 0.19834476 0.32170283 1.0
Ge Ge27 1 0.87151824 0.79956483 0.82239277 1.0
Ge Ge28 1 0.29352770 0.96269855 0.06744367 1.0
Ge Ge29 1 0.53666010 0.79248496 0.31639480 1.0
Ge Ge30 1 0.46489178 0.20852969 0.81523432 1.0
Ge Ge31 1 0.79413827 0.53621883 0.68331446 1.0
Ge Ge32 1 0.20666785 0.46258096 0.18356763 1.0
Ge Ge33 1 0.70787481 0.03628848 0.56657117 1.0
Ge Ge34 1 0.96047171 0.29784583 0.93432649 1.0
Ge Ge35 1 0.03717253 0.70697549 0.43385176 1.0
