Sr9Cd4Bi9
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-30447 · Space group: Pbam (#55)
Basic Information
Formula
Sr9Cd4Bi9
MP-ID
mp-30447
Elements
3
Sites
44
Density
6.6621
g/cm³
Volume
1,554.85
ų
Cell a
4.9285
Å
Cell b
13.3751
Å
Cell c
23.5872
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pbam
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 |
|---|---|---|---|
| 10.00 | 8.8459 | 9.3 | (0,1,2) |
| 13.06 | 6.7781 | 1.2 | (0,1,3) |
| 13.24 | 6.6876 | 2.7 | (0,2,0) |
| 13.76 | 6.4339 | 2.4 | (0,2,1) |
| 15.02 | 5.8968 | 5.8 | (0,0,4) |
| 15.23 | 5.8174 | 2.6 | (0,2,2) |
| 15.23 | 5.8174 | 2.6 | (0,2,-2) |
| 17.41 | 5.0941 | 16.4 | (0,2,3) |
| 18.00 | 4.9285 | 9.5 | (1,0,0) |
| 19.96 | 4.4488 | 1.7 | (0,1,5) |
| 20.08 | 4.4230 | 1.9 | (0,2,4) |
| 20.63 | 4.3054 | 11.1 | (1,1,2) |
| 21.31 | 4.1703 | 10.3 | (0,3,2) |
| 22.30 | 3.9861 | 64.9 | (1,1,3) |
| 22.41 | 3.9675 | 1.7 | (1,2,0) |
| 22.62 | 3.9312 | 32.6 | (0,0,6) |
| 22.73 | 3.9125 | 21.8 | (1,2,1) |
| 22.93 | 3.8782 | 43.0 | (0,3,3) |
| 22.93 | 3.8782 | 43.0 | (0,3,-3) |
| 23.53 | 3.7816 | 10.9 | (1,0,4) |
| 23.66 | 3.7604 | 4.0 | (1,-2,-2) |
| 23.66 | 3.7604 | 12.1 | (1,2,2) |
| 24.46 | 3.6390 | 6.0 | (1,-1,-4) |
| 24.46 | 3.6390 | 18.1 | (1,1,4) |
Energy Properties
Formation Energy/atom
-0.70873
eV/atom
Energy/atom
-3.16701
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-34.6469
eV/atom
Volume/atom
35.34
ų
c/a Ratio
4.7859
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
Sr · 0.409
Element Family
Alkali-AlkEarth
Solute Fraction
0.591
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0413
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.6570
J/mol·K
Ω Parameter
1.8734
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
12.173%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4903
smaller = more stable mixing
VEC
5.045
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-3.514
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9478
SS Former
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.451
Family
Sr-rich Multi-Component
Matrix Element
Sr · 0.409
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-30447
Reference Citation
The crystal structure and related material properties of Sr9Cd4Bi9 were obtained from the Materials Project database (MP-ID: mp-30447, 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_Sr9Cd4Bi9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.92851629
_cell_length_b 13.37509040
_cell_length_c 23.58721249
_cell_angle_alpha 89.99999363
_cell_angle_beta 90.00000449
_cell_angle_gamma 90.00000158
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr9Cd4Bi9
_chemical_formula_sum 'Sr18 Cd8 Bi18'
_cell_volume 1554.85373727
_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
Sr Sr0 1 0.00000009 0.36762993 0.63572213 1.0
Sr Sr1 1 0.00000005 0.56546181 0.91080646 1.0
Sr Sr2 1 1.00000059 0.63237186 0.36429065 1.0
Sr Sr3 1 0.99999993 0.43454276 0.08917270 1.0
Sr Sr4 1 0.99999964 0.13240928 0.13570034 1.0
Sr Sr5 1 1.00000029 0.86758167 0.86428570 1.0
Sr Sr6 1 0.50000011 0.50000852 0.50001506 1.0
Sr Sr7 1 0.49999976 1.00000583 0.99999012 1.0
Sr Sr8 1 0.50000004 0.70926111 0.10257310 1.0
Sr Sr9 1 0.50000019 0.29073765 0.89742021 1.0
Sr Sr10 1 0.50000020 0.20931522 0.39741606 1.0
Sr Sr11 1 0.49999991 0.79067387 0.60259262 1.0
Sr Sr12 1 1.00000055 0.87508050 0.23574403 1.0
Sr Sr13 1 -0.00000056 0.12491721 0.76424740 1.0
Sr Sr14 1 0.99999996 0.37511218 0.26423584 1.0
Sr Sr15 1 0.99999955 0.62488563 0.73576649 1.0
Sr Sr16 1 0.99999998 0.93452753 0.41081777 1.0
Sr Sr17 1 1.00000004 0.06547071 0.58920164 1.0
Cd Cd18 1 0.49999938 0.72875345 0.95435548 1.0
Cd Cd19 1 0.50000010 0.27124359 0.04566729 1.0
Cd Cd20 1 0.50000044 0.22879772 0.54565195 1.0
Cd Cd21 1 0.49999984 0.77120105 0.45433381 1.0
Cd Cd22 1 0.49999989 0.61335667 0.26144219 1.0
Cd Cd23 1 0.49999979 0.11336754 0.23854723 1.0
Cd Cd24 1 0.50000040 0.38665324 0.73855640 1.0
Cd Cd25 1 0.49999990 0.88661397 0.76144754 1.0
Bi Bi26 1 0.50000013 0.80997473 0.33144363 1.0
Bi Bi27 1 0.50000001 0.19003182 0.66856929 1.0
Bi Bi28 1 0.49999989 0.31001078 0.16854668 1.0
Bi Bi29 1 0.49999995 0.68998904 0.83144049 1.0
Bi Bi30 1 0.50000000 0.95708052 0.14610252 1.0
Bi Bi31 1 0.50000009 0.04290920 0.85388501 1.0
Bi Bi32 1 0.50000008 0.45708025 0.35388847 1.0
Bi Bi33 1 0.49999991 0.54292111 0.64612101 1.0
Bi Bi34 1 0.99999985 0.61769144 0.19266293 1.0
Bi Bi35 1 0.00000027 0.38232173 0.80732794 1.0
Bi Bi36 1 -0.00000020 0.11772050 0.30733048 1.0
Bi Bi37 1 0.99999997 0.88227755 0.69267545 1.0
Bi Bi38 1 0.99999974 0.81057447 0.00935250 1.0
Bi Bi39 1 0.00000010 0.18942855 0.99062578 1.0
Bi Bi40 1 1.00000014 0.31061707 0.49065006 1.0
Bi Bi41 1 -0.00000003 0.68938817 0.50937674 1.0
Bi Bi42 1 0.49999999 -0.00000189 0.50001009 1.0
Bi Bi43 1 0.50000004 0.50000445 0.99999073 1.0
