Er20TcBi8Pt3
High-Entropy Materials HEAMP-ID: mp-3292179 · Space group: Pm (#6)
Basic Information
Formula
Er20TcBi8Pt3
MP-ID
mp-3292179
Elements
4
Sites
32
Density
10.8525
g/cm³
Volume
872.20
ų
Cell a
7.9397
Å
Cell b
8.9571
Å
Cell c
12.2645
Å
α Angle
90.00
°
β Angle
90.35
°
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 |
|---|---|---|---|
| 7.21 | 12.2643 | 1.1 | (0,0,1) |
| 14.44 | 6.1322 | 2.2 | (0,0,2) |
| 14.91 | 5.9415 | 5.9 | (1,1,0) |
| 18.23 | 4.8674 | 2.0 | (1,0,-2) |
| 20.77 | 4.2768 | 1.8 | (1,1,-2) |
| 20.86 | 4.2574 | 1.6 | (1,1,2) |
| 22.40 | 3.9698 | 12.8 | (2,0,0) |
| 23.51 | 3.7836 | 1.2 | (2,0,-1) |
| 23.60 | 3.7702 | 2.4 | (2,0,1) |
| 23.92 | 3.7205 | 6.3 | (1,2,-1) |
| 23.96 | 3.7141 | 4.9 | (1,2,1) |
| 24.43 | 3.6436 | 12.5 | (1,0,-3) |
| 24.55 | 3.6257 | 13.4 | (1,0,3) |
| 24.61 | 3.6167 | 3.9 | (0,2,2) |
| 27.06 | 3.2957 | 14.6 | (1,2,-2) |
| 27.13 | 3.2869 | 7.5 | (1,2,2) |
| 28.51 | 3.1309 | 3.8 | (2,1,-2) |
| 28.65 | 3.1157 | 2.2 | (2,1,2) |
| 29.12 | 3.0661 | 9.1 | (0,0,4) |
| 30.82 | 2.9008 | 1.8 | (0,1,4) |
| 30.94 | 2.8902 | 100.0 | (2,2,-1) |
| 31.01 | 2.8842 | 89.8 | (2,2,1) |
| 31.21 | 2.8661 | 51.0 | (1,0,-4) |
| 31.31 | 2.8566 | 18.2 | (2,0,-3) |
Energy Properties
Formation Energy/atom
-0.85688
eV/atom
Energy/atom
-42.32422
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-42.3242
eV/atom
Volume/atom
27.26
ų
c/a Ratio
1.5447
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
3.1853
μB
Mag. Ordering
FM
Mag. Sites
18
Magnetization/Volume
0.003650
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Er · 0.625
Element Family
Lanthanide
Solute Fraction
0.375
Interstitial Fraction
0.000
High-Entropy Alloy Features
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
25.8585
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
7.534%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4112
smaller = more stable mixing
VEC
9.844
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-3292179
Reference Citation
The crystal structure and related material properties of Er20TcBi8Pt3 were obtained from the Materials Project database (MP-ID: mp-3292179, 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_Er20TcBi8Pt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.93969760
_cell_length_b 8.95712732
_cell_length_c 12.26453348
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.34702191
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Er20TcBi8Pt3
_chemical_formula_sum 'Er20 Tc1 Bi8 Pt3'
_cell_volume 872.19938557
_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
Er Er0 1 0.66986164 0.75000000 0.71559929 1.0
Er Er1 1 0.33491232 0.25000000 0.28969975 1.0
Er Er2 1 0.16100162 0.25000000 0.79163760 1.0
Er Er3 1 0.84125752 0.75000000 0.20422685 1.0
Er Er4 1 0.12461370 0.75000000 0.80506428 1.0
Er Er5 1 0.87471522 0.25000000 0.19563113 1.0
Er Er6 1 0.62886644 0.25000000 0.69506641 1.0
Er Er7 1 0.37285909 0.75000000 0.30624465 1.0
Er Er8 1 0.54866307 0.75000000 0.99757955 1.0
Er Er9 1 0.44463892 0.25000000 0.00123964 1.0
Er Er10 1 0.05220389 0.25000000 0.49897702 1.0
Er Er11 1 0.94539727 0.75000000 0.49973562 1.0
Er Er12 1 0.82516735 0.46252397 0.93582867 1.0
Er Er13 1 0.17559137 0.54793490 0.06510613 1.0
Er Er14 1 0.32263204 0.54281950 0.56803889 1.0
Er Er15 1 0.17559137 0.95206510 0.06510613 1.0
Er Er16 1 0.67676319 0.45648863 0.43315083 1.0
Er Er17 1 0.82516735 0.03747603 0.93582867 1.0
Er Er18 1 0.67676319 0.04351137 0.43315083 1.0
Er Er19 1 0.32263204 0.95718050 0.56803889 1.0
Tc Tc20 1 0.92126555 0.75000000 0.98411665 1.0
Bi Bi21 1 0.93385435 0.01069004 0.67114077 1.0
Bi Bi22 1 0.06722859 0.98952196 0.32799563 1.0
Bi Bi23 1 0.43347419 0.99271194 0.82607030 1.0
Bi Bi24 1 0.06722859 0.51047804 0.32799563 1.0
Bi Bi25 1 0.56619703 0.00932378 0.17255946 1.0
Bi Bi26 1 0.93385435 0.48930996 0.67114077 1.0
Bi Bi27 1 0.56619703 0.49067622 0.17255946 1.0
Bi Bi28 1 0.43347419 0.50728806 0.82607030 1.0
Pt Pt29 1 0.07839700 0.25000000 0.01269108 1.0
Pt Pt30 1 0.42677051 0.25000000 0.50986951 1.0
Pt Pt31 1 0.57276201 0.75000000 0.49284262 1.0
