Ac2BiSbPt2
High-Entropy Materials HEAMP-ID: mp-3251804 · Space group: Pmn2_1 (#31)
Basic Information
Formula
Ac2BiSbPt2
MP-ID
mp-3251804
Elements
4
Sites
12
Density
11.5788
g/cm³
Volume
336.99
ų
Cell a
8.7352
Å
Cell b
4.6999
Å
Cell c
8.2085
Å
α Angle
90.10
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pmn2_1
Point Group
mm2
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 |
|---|---|---|---|
| 10.78 | 8.2085 | 1.4 | (0,0,1) |
| 20.33 | 4.3676 | 15.0 | (2,0,0) |
| 21.47 | 4.1388 | 3.2 | (1,1,0) |
| 21.65 | 4.1042 | 1.6 | (0,0,2) |
| 21.77 | 4.0817 | 1.1 | (0,1,-1) |
| 21.81 | 4.0756 | 1.0 | (0,1,1) |
| 23.07 | 3.8557 | 1.2 | (2,0,1) |
| 23.96 | 3.7146 | 1.2 | (1,0,2) |
| 28.86 | 3.0941 | 1.3 | (0,1,-2) |
| 28.91 | 3.0888 | 1.4 | (0,1,2) |
| 29.87 | 2.9909 | 96.0 | (2,0,2) |
| 29.96 | 2.9821 | 99.5 | (2,1,-1) |
| 29.99 | 2.9798 | 100.0 | (2,1,1) |
| 34.35 | 2.6111 | 1.2 | (1,0,3) |
| 37.89 | 2.3748 | 1.4 | (3,0,2) |
| 37.96 | 2.3704 | 1.2 | (3,1,-1) |
| 37.98 | 2.3692 | 1.2 | (3,1,1) |
| 38.03 | 2.3664 | 54.5 | (0,1,-3) |
| 38.08 | 2.3629 | 54.3 | (0,1,3) |
| 38.30 | 2.3499 | 54.7 | (0,2,0) |
| 38.84 | 2.3187 | 1.5 | (2,0,3) |
| 41.34 | 2.1838 | 42.2 | (4,0,0) |
| 43.50 | 2.0806 | 3.8 | (2,1,-3) |
| 43.55 | 2.0782 | 3.8 | (2,1,3) |
Energy Properties
Formation Energy/atom
-1.19538
eV/atom
Energy/atom
-55.27188
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-55.2719
eV/atom
Volume/atom
28.08
ų
c/a Ratio
0.9397
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0000
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ac · 0.333
Element Family
Actinide
Solute Fraction
0.667
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.3297
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
11.0548
J/mol·K
Ω Parameter
14.1444
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
14.955%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.5085
smaller = more stable mixing
VEC
5.667
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
1.065
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9591
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3251804
Reference Citation
The crystal structure and related material properties of Ac2BiSbPt2 were obtained from the Materials Project database (MP-ID: mp-3251804, 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_Ac2BiSbPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.73514838
_cell_length_b 4.69987738
_cell_length_c 8.20848308
_cell_angle_alpha 90.09867979
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ac2BiSbPt2
_chemical_formula_sum 'Ac4 Bi2 Sb2 Pt4'
_cell_volume 336.99160098
_cell_formula_units_Z 2
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
Ac Ac0 1 0.15820253 0.25119010 0.75389075 1.0
Ac Ac1 1 0.65820253 0.74880990 0.24610925 1.0
Ac Ac2 1 0.16716345 0.74904973 0.24659634 1.0
Ac Ac3 1 0.66716345 0.25095027 0.75340366 1.0
Bi Bi4 1 0.90904685 0.24977863 0.41514367 1.0
Bi Bi5 1 0.40904685 0.75022137 0.58485633 1.0
Sb Sb6 1 0.90838204 0.75156482 0.92221355 1.0
Sb Sb7 1 0.40838204 0.24843518 0.07778645 1.0
Pt Pt8 1 0.42959164 0.24997453 0.40075681 1.0
Pt Pt9 1 0.92959164 0.75002547 0.59924319 1.0
Pt Pt10 1 0.42761449 0.74796073 0.92523829 1.0
Pt Pt11 1 0.92761449 0.25203927 0.07476171 1.0
