Lu20CoBi8Pt3
高熵材料 HEAMP-ID: mp-3293294 · Space group: Pm (#6)
Basic Information
Formula
Lu20CoBi8Pt3
MP-ID
mp-3293294
Elements
4
Sites
32
Density
11.4911
g/cm³
Volume
840.36
ų
Cell a
7.8856
Å
Cell b
8.8084
Å
Cell c
12.0985
Å
α Angle
90.00
°
β Angle
89.90
°
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 |
|---|---|---|---|
| 7.31 | 12.0985 | 1.6 | (0,0,1) |
| 14.64 | 6.0492 | 2.4 | (0,0,2) |
| 15.08 | 5.8752 | 6.2 | (1,1,0) |
| 18.50 | 4.7956 | 2.4 | (1,0,-2) |
| 21.07 | 4.2173 | 1.3 | (1,1,2) |
| 21.09 | 4.2119 | 1.7 | (1,1,-2) |
| 22.55 | 3.9428 | 12.1 | (2,0,0) |
| 23.72 | 3.7507 | 2.2 | (2,0,1) |
| 23.75 | 3.7468 | 1.2 | (2,0,-1) |
| 24.28 | 3.6654 | 3.6 | (1,2,1) |
| 24.29 | 3.6636 | 4.5 | (1,2,-1) |
| 24.78 | 3.5931 | 11.8 | (1,0,3) |
| 24.81 | 3.5880 | 8.2 | (1,0,-3) |
| 25.01 | 3.5605 | 2.5 | (0,2,2) |
| 25.82 | 3.4509 | 1.8 | (2,1,1) |
| 25.84 | 3.4479 | 1.5 | (2,1,-1) |
| 27.48 | 3.2463 | 8.5 | (1,2,2) |
| 27.50 | 3.2438 | 15.4 | (1,2,-2) |
| 28.85 | 3.0950 | 2.2 | (2,1,2) |
| 28.89 | 3.0907 | 6.2 | (2,1,-2) |
| 29.53 | 3.0246 | 7.5 | (0,0,4) |
| 31.27 | 2.8607 | 3.1 | (0,1,4) |
| 31.33 | 2.8555 | 88.4 | (2,2,1) |
| 31.34 | 2.8538 | 100.0 | (2,2,-1) |
Energy Properties
Formation Energy/atom
-0.82825
eV/atom
Energy/atom
-44.49429
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-44.4943
eV/atom
Volume/atom
26.26
ų
c/a Ratio
1.5342
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
3.2671
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.003890
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Lu · 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
11.2255
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
8.076%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3964
smaller = more stable mixing
VEC
3.719
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
1.140
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-3293294
Reference Citation
The crystal structure and related material properties of Lu20CoBi8Pt3 were obtained from the Materials Project database (MP-ID: mp-3293294, 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_Lu20CoBi8Pt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.88563662
_cell_length_b 8.80844446
_cell_length_c 12.09846827
_cell_angle_alpha 90.00000000
_cell_angle_beta 89.90034109
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Lu20CoBi8Pt3
_chemical_formula_sum 'Lu20 Co1 Bi8 Pt3'
_cell_volume 840.36065935
_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
Lu Lu0 1 0.34246822 0.75000000 0.69857357 1.0
Lu Lu1 1 0.66602335 0.25000000 0.29019109 1.0
Lu Lu2 1 0.83297956 0.25000000 0.78888382 1.0
Lu Lu3 1 0.16725679 0.75000000 0.21162279 1.0
Lu Lu4 1 0.87847576 0.75000000 0.80597221 1.0
Lu Lu5 1 0.12276198 0.25000000 0.19454321 1.0
Lu Lu6 1 0.37803999 0.25000000 0.69440975 1.0
Lu Lu7 1 0.61266181 0.75000000 0.31375824 1.0
Lu Lu8 1 0.67324205 0.55123604 0.56430104 1.0
Lu Lu9 1 0.32873392 0.46431928 0.43598190 1.0
Lu Lu10 1 0.17341124 0.45387998 0.93282172 1.0
Lu Lu11 1 0.32873392 0.03568072 0.43598190 1.0
Lu Lu12 1 0.82282253 0.54611772 0.06784780 1.0
Lu Lu13 1 0.67324205 0.94876396 0.56430104 1.0
Lu Lu14 1 0.82282253 0.95388228 0.06784780 1.0
Lu Lu15 1 0.17341124 0.04612002 0.93282172 1.0
Lu Lu16 1 0.06215692 0.75000000 0.49958730 1.0
Lu Lu17 1 0.94330216 0.25000000 0.49952218 1.0
Lu Lu18 1 0.55422375 0.25000000 0.99844887 1.0
Lu Lu19 1 0.44172235 0.75000000 0.99970897 1.0
Co Co20 1 0.42723455 0.75000000 0.49033330 1.0
Bi Bi21 1 0.56631220 0.51286134 0.82764888 1.0
Bi Bi22 1 0.43321217 0.48789627 0.17203663 1.0
Bi Bi23 1 0.06697172 0.48863245 0.67176592 1.0
Bi Bi24 1 0.43321217 0.01210373 0.17203663 1.0
Bi Bi25 1 0.93311847 0.51241871 0.32849651 1.0
Bi Bi26 1 0.56631220 0.98713866 0.82764888 1.0
Bi Bi27 1 0.93311847 0.98758129 0.32849651 1.0
Bi Bi28 1 0.06697172 0.01136755 0.67176592 1.0
Pt Pt29 1 0.07571511 0.75000000 0.99136161 1.0
Pt Pt30 1 0.92047035 0.25000000 0.01063589 1.0
Pt Pt31 1 0.57885576 0.25000000 0.51064442 1.0
