Dy20TcBi8Pt3
高熵材料 HEAMP-ID: mp-3294350 · Space group: Pm (#6)
Basic Information
Formula
Dy20TcBi8Pt3
MP-ID
mp-3294350
Elements
4
Sites
32
Density
10.3674
g/cm³
Volume
897.77
ų
Cell a
8.0560
Å
Cell b
8.9738
Å
Cell c
12.4187
Å
α Angle
90.00
°
β Angle
90.32
°
γ Angle
90.00
°
Space Group
Pm
Point Group
m
Crystal System
Monoclinic
Bravais Lattice
mP
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 |
|---|---|---|---|
| 7.12 | 12.4185 | 1.2 | (0,0,1) |
| 14.26 | 6.2093 | 2.1 | (0,0,2) |
| 14.78 | 5.9947 | 5.9 | (1,1,0) |
| 17.99 | 4.9311 | 2.2 | (1,0,-2) |
| 20.55 | 4.3216 | 1.9 | (1,1,-2) |
| 20.64 | 4.3039 | 1.8 | (1,1,2) |
| 22.07 | 4.0279 | 13.8 | (2,0,0) |
| 23.18 | 3.8377 | 1.6 | (2,0,-1) |
| 23.25 | 3.8253 | 2.8 | (2,0,1) |
| 23.78 | 3.7410 | 7.0 | (1,2,-1) |
| 23.82 | 3.7352 | 5.9 | (1,2,1) |
| 24.12 | 3.6902 | 13.7 | (1,0,-3) |
| 24.23 | 3.6737 | 14.6 | (1,0,3) |
| 24.48 | 3.6368 | 4.9 | (0,2,2) |
| 26.86 | 3.3187 | 13.8 | (1,2,-2) |
| 26.93 | 3.3106 | 6.8 | (1,2,2) |
| 28.16 | 3.1694 | 4.1 | (2,1,-2) |
| 28.28 | 3.1555 | 2.2 | (2,1,2) |
| 28.76 | 3.1046 | 9.1 | (0,0,4) |
| 30.47 | 2.9340 | 1.7 | (0,1,4) |
| 30.66 | 2.9164 | 100.0 | (2,2,-1) |
| 30.71 | 2.9110 | 90.4 | (2,2,1) |
| 30.81 | 2.9023 | 51.4 | (1,0,-4) |
| 30.89 | 2.8948 | 17.5 | (2,0,-3) |
Energy Properties
Formation Energy/atom
-0.88423
eV/atom
Energy/atom
-41.13680
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-41.1368
eV/atom
Volume/atom
28.06
ų
c/a Ratio
1.5416
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
2.7005
μB
Mag. Ordering
FM
Mag. Sites
13
Magnetization/Volume
0.003010
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Dy · 0.625
Element Family
Lanthanide
Solute Fraction
0.375
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9705
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.0691
J/mol·K
Ω Parameter
24.5695
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
7.534%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4207
smaller = more stable mixing
VEC
8.594
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.477
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7001
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3294350
Reference Citation
The crystal structure and related material properties of Dy20TcBi8Pt3 were obtained from the Materials Project database (MP-ID: mp-3294350, 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
Loading 3D structure…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_Dy20TcBi8Pt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.05600021
_cell_length_b 8.97376612
_cell_length_c 12.41871667
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.31581298
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy20TcBi8Pt3
_chemical_formula_sum 'Dy20 Tc1 Bi8 Pt3'
_cell_volume 897.76844583
_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
Dy Dy0 1 0.83094033 0.75000000 0.78582689 1.0
Dy Dy1 1 0.16474366 0.25000000 0.20890117 1.0
Dy Dy2 1 0.33946166 0.25000000 0.70695271 1.0
Dy Dy3 1 0.65806051 0.75000000 0.29615484 1.0
Dy Dy4 1 0.37586798 0.75000000 0.69537572 1.0
Dy Dy5 1 0.62454660 0.25000000 0.30464794 1.0
Dy Dy6 1 0.87236253 0.25000000 0.80482335 1.0
Dy Dy7 1 0.12653452 0.75000000 0.19395772 1.0
Dy Dy8 1 0.94911363 0.75000000 0.50147122 1.0
Dy Dy9 1 0.05294600 0.25000000 0.49897015 1.0
Dy Dy10 1 0.44909992 0.25000000 0.00102741 1.0
Dy Dy11 1 0.55301020 0.75000000 0.00052330 1.0
Dy Dy12 1 0.67615078 0.03667893 0.56449625 1.0
Dy Dy13 1 0.32414257 0.95302190 0.43561468 1.0
Dy Dy14 1 0.17850392 0.95626618 0.93209596 1.0
Dy Dy15 1 0.32414257 0.54697810 0.43561468 1.0
Dy Dy16 1 0.82240582 0.04435955 0.06648853 1.0
Dy Dy17 1 0.67615078 0.46332107 0.56449625 1.0
Dy Dy18 1 0.82240582 0.45564045 0.06648853 1.0
Dy Dy19 1 0.17850392 0.54373382 0.93209596 1.0
Tc Tc20 1 0.57782724 0.75000000 0.51568226 1.0
Bi Bi21 1 0.56737559 0.48859599 0.82891574 1.0
Bi Bi22 1 0.43259497 0.51034544 0.17235690 1.0
Bi Bi23 1 0.06686561 0.50793376 0.67369958 1.0
Bi Bi24 1 0.43259497 0.98965456 0.17235690 1.0
Bi Bi25 1 0.93363865 0.49021769 0.32657210 1.0
Bi Bi26 1 0.56737559 0.01140401 0.82891574 1.0
Bi Bi27 1 0.93363865 0.00978231 0.32657210 1.0
Bi Bi28 1 0.06686561 0.99206624 0.67369958 1.0
Pt Pt29 1 0.42224943 0.25000000 0.48801177 1.0
Pt Pt30 1 0.07399196 0.25000000 0.98981095 1.0
Pt Pt31 1 0.92588697 0.75000000 0.00738514 1.0
