Basic Information
Formula
Ho2Tm3Pt4
MP-ID
mp-3295170
Elements
3
Sites
36
Density
13.5011
g/cm³
Volume
795.52
ų
Cell a
7.4199
Å
Cell b
7.5014
Å
Cell c
14.2926
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pnma
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oP
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 |
|---|---|---|---|
| 12.39 | 7.1463 | 3.9 | (0,0,2) |
| 16.81 | 5.2752 | 4.1 | (1,1,0) |
| 20.93 | 4.2442 | 6.4 | (1,1,2) |
| 23.72 | 3.7507 | 1.8 | (0,2,0) |
| 23.99 | 3.7099 | 2.2 | (2,0,0) |
| 24.92 | 3.5732 | 3.3 | (0,0,4) |
| 25.19 | 3.5357 | 8.0 | (1,1,3) |
| 29.63 | 3.0150 | 4.6 | (2,1,2) |
| 30.21 | 2.9584 | 1.0 | (1,1,4) |
| 30.54 | 2.9271 | 1.8 | (2,0,3) |
| 32.70 | 2.7389 | 100.0 | (1,2,3) |
| 32.84 | 2.7269 | 82.2 | (2,1,3) |
| 33.55 | 2.6712 | 4.2 | (0,1,5) |
| 33.99 | 2.6376 | 18.7 | (2,2,0) |
| 34.58 | 2.5938 | 22.3 | (2,2,1) |
| 34.67 | 2.5871 | 37.8 | (0,2,4) |
| 34.86 | 2.5736 | 8.8 | (2,0,4) |
| 35.73 | 2.5133 | 30.6 | (1,1,5) |
| 36.31 | 2.4745 | 7.7 | (2,2,2) |
| 36.48 | 2.4631 | 1.6 | (0,3,1) |
| 36.79 | 2.4429 | 26.6 | (1,2,4) |
| 36.93 | 2.4343 | 34.9 | (2,1,4) |
| 37.77 | 2.3821 | 28.5 | (0,0,6) |
| 37.97 | 2.3695 | 9.1 | (1,3,0) |
Energy Properties
Formation Energy/atom
-1.32878
eV/atom
Energy/atom
-43.22619
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-43.2262
eV/atom
Volume/atom
22.10
ų
c/a Ratio
1.9263
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0303
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000040
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Pt · 0.444
Element Family
5d-TM
Solute Fraction
0.556
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0609
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.8200
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.251%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.5158
smaller = more stable mixing
VEC
11.222
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9656
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3295170
Reference Citation
The crystal structure and related material properties of Ho2Tm3Pt4 were obtained from the Materials Project database (MP-ID: mp-3295170, 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_Ho2Tm3Pt4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.41986506
_cell_length_b 7.50143440
_cell_length_c 14.29259160
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho2Tm3Pt4
_chemical_formula_sum 'Ho8 Tm12 Pt16'
_cell_volume 795.52037471
_cell_formula_units_Z 4
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 0.50041964 0.67942363 0.59370017 1.0
Ho Ho1 1 0.00041964 0.82057637 0.90629983 1.0
Ho Ho2 1 0.49958036 0.32057637 0.09370017 1.0
Ho Ho3 1 0.99958036 0.17942363 0.40629983 1.0
Ho Ho4 1 0.49958036 0.32057637 0.40629983 1.0
Ho Ho5 1 0.99958036 0.17942363 0.09370017 1.0
Ho Ho6 1 0.50041964 0.67942363 0.90629983 1.0
Ho Ho7 1 0.00041964 0.82057637 0.59370017 1.0
Tm Tm8 1 0.65607378 0.16688822 0.62286035 1.0
Tm Tm9 1 0.15607378 0.33311178 0.87713965 1.0
Tm Tm10 1 0.34392622 0.83311178 0.12286035 1.0
Tm Tm11 1 0.84392622 0.66688822 0.37713965 1.0
Tm Tm12 1 0.34392622 0.83311178 0.37713965 1.0
Tm Tm13 1 0.84392622 0.66688822 0.12286035 1.0
Tm Tm14 1 0.65607378 0.16688822 0.87713965 1.0
Tm Tm15 1 0.15607378 0.33311178 0.62286035 1.0
Tm Tm16 1 0.81761246 0.51012057 0.75000000 1.0
Tm Tm17 1 0.31761246 0.98987943 0.75000000 1.0
Tm Tm18 1 0.18238754 0.48987943 0.25000000 1.0
Tm Tm19 1 0.68238754 0.01012057 0.25000000 1.0
Pt Pt20 1 0.68332328 0.96596247 0.45833852 1.0
Pt Pt21 1 0.18332328 0.53403753 0.04166148 1.0
Pt Pt22 1 0.31667672 0.03403753 0.95833852 1.0
Pt Pt23 1 0.81667672 0.46596247 0.54166148 1.0
Pt Pt24 1 0.31667672 0.03403753 0.54166148 1.0
Pt Pt25 1 0.81667672 0.46596247 0.95833852 1.0
Pt Pt26 1 0.68332328 0.96596247 0.04166148 1.0
Pt Pt27 1 0.18332328 0.53403753 0.45833852 1.0
Pt Pt28 1 0.45284394 0.38504347 0.75000000 1.0
Pt Pt29 1 0.95284394 0.11495653 0.75000000 1.0
Pt Pt30 1 0.54715606 0.61495653 0.25000000 1.0
Pt Pt31 1 0.04715606 0.88504347 0.25000000 1.0
Pt Pt32 1 0.68279344 0.85804541 0.75000000 1.0
Pt Pt33 1 0.18279344 0.64195459 0.75000000 1.0
Pt Pt34 1 0.31720656 0.14195459 0.25000000 1.0
Pt Pt35 1 0.81720656 0.35804541 0.25000000 1.0
