Tb18Sn3Bi7O10
High-Entropy Materials HEAMP-ID: mp-3293138 · Space group: P1 (#1)
Basic Information
Formula
Tb18Sn3Bi7O10
MP-ID
mp-3293138
Elements
4
Sites
38
Density
8.9831
g/cm³
Volume
894.61
ų
Cell a
9.9884
Å
Cell b
9.9847
Å
Cell c
8.9703
Å
α Angle
90.01
°
β Angle
89.87
°
γ Angle
90.01
°
Space Group
P1
Point Group
1
Crystal System
Triclinic
Bravais Lattice
aP
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 |
|---|---|---|---|
| 8.85 | 9.9884 | 1.5 | (1,0,0) |
| 12.53 | 7.0623 | 2.9 | (1,-1,0) |
| 12.54 | 7.0608 | 1.6 | (1,1,0) |
| 15.96 | 5.5520 | 1.3 | (1,1,1) |
| 15.99 | 5.5444 | 1.5 | (1,-1,-1) |
| 17.76 | 4.9942 | 1.6 | (2,0,0) |
| 19.79 | 4.4851 | 9.1 | (0,0,2) |
| 20.33 | 4.3676 | 2.3 | (2,0,1) |
| 20.36 | 4.3619 | 3.6 | (0,2,1) |
| 21.74 | 4.0882 | 1.1 | (1,0,-2) |
| 25.22 | 3.5312 | 2.6 | (2,-2,0) |
| 25.23 | 3.5304 | 1.5 | (2,2,0) |
| 26.72 | 3.3368 | 2.0 | (0,2,-2) |
| 26.74 | 3.3333 | 1.0 | (2,0,-2) |
| 27.12 | 3.2876 | 1.3 | (2,-2,1) |
| 27.13 | 3.2867 | 1.4 | (2,2,1) |
| 27.16 | 3.2838 | 3.9 | (2,-2,-1) |
| 27.16 | 3.2835 | 5.0 | (2,2,-1) |
| 28.17 | 3.1677 | 1.2 | (2,1,2) |
| 28.25 | 3.1587 | 4.1 | (3,-1,0) |
| 28.26 | 3.1583 | 33.9 | (3,1,0) |
| 28.26 | 3.1578 | 33.9 | (1,-3,0) |
| 28.27 | 3.1573 | 2.5 | (1,3,0) |
| 29.88 | 2.9901 | 100.0 | (0,0,3) |
Energy Properties
Formation Energy/atom
-2.30512
eV/atom
Energy/atom
-31.39869
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-31.3987
eV/atom
Volume/atom
23.54
ų
c/a Ratio
0.8981
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0018
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
Tb · 0.474
Element Family
Lanthanide
Solute Fraction
0.526
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.2173
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.1209
J/mol·K
Ω Parameter
161.1508
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
34.590%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.9630
smaller = more stable mixing
VEC
6.553
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.058
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8781
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3293138
Reference Citation
The crystal structure and related material properties of Tb18Sn3Bi7O10 were obtained from the Materials Project database (MP-ID: mp-3293138, 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…
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Raw CIF Data
# generated using pymatgen
data_Tb18Sn3Bi7O10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.98837263
_cell_length_b 9.98468696
_cell_length_c 8.97029162
_cell_angle_alpha 90.01181055
_cell_angle_beta 89.87392333
_cell_angle_gamma 90.01250682
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tb18Sn3Bi7O10
_chemical_formula_sum 'Tb18 Sn3 Bi7 O10'
_cell_volume 894.61191919
_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
Tb Tb0 1 0.19808211 0.89394184 0.33263320 1.0
Tb Tb1 1 0.50285204 0.99241420 0.68271725 1.0
Tb Tb2 1 0.30176521 0.60617229 0.66721075 1.0
Tb Tb3 1 0.70343257 0.40126151 0.66095219 1.0
Tb Tb4 1 0.72868374 0.91380294 0.00435008 1.0
Tb Tb5 1 0.40270959 0.29743683 0.33294779 1.0
Tb Tb6 1 0.10479789 0.20557593 0.66692016 1.0
Tb Tb7 1 0.61123184 0.70090821 0.33805916 1.0
Tb Tb8 1 0.99081906 0.50528995 0.31768346 1.0
Tb Tb9 1 0.88852776 0.79266550 0.66096835 1.0
Tb Tb10 1 0.27606133 0.08312414 0.00311881 1.0
Tb Tb11 1 0.76949972 0.58298013 0.99876756 1.0
Tb Tb12 1 0.22465406 0.41779282 0.99955342 1.0
Tb Tb13 1 0.79494983 0.10499822 0.33203142 1.0
Tb Tb14 1 0.58529516 0.22770615 0.00421165 1.0
Tb Tb15 1 0.91608069 0.27653507 0.99999262 1.0
Tb Tb16 1 0.08018364 0.72645262 0.00071616 1.0
Tb Tb17 1 0.41799253 0.77279550 0.00165437 1.0
Sn Sn18 1 0.59534574 0.69615867 0.70013382 1.0
Sn Sn19 1 0.90352332 0.80557090 0.30080883 1.0
Sn Sn20 1 0.69675455 0.40188789 0.30023563 1.0
Bi Bi21 1 0.00298661 0.49998254 0.67845679 1.0
Bi Bi22 1 0.19365245 0.90414937 0.69633541 1.0
Bi Bi23 1 0.80477008 0.09677140 0.69630190 1.0
Bi Bi24 1 0.30416913 0.59561081 0.30423676 1.0
Bi Bi25 1 0.40482711 0.30308252 0.69662454 1.0
Bi Bi26 1 0.09715602 0.19752554 0.30476001 1.0
Bi Bi27 1 0.49837713 0.99844689 0.32237518 1.0
O O28 1 0.22710641 0.87994098 0.08542848 1.0
O O29 1 0.72794328 0.37870302 0.91108465 1.0
O O30 1 0.49659482 0.00230315 0.93757023 1.0
O O31 1 0.61836233 0.72716890 0.08794063 1.0
O O32 1 0.00426602 0.49865766 0.06204392 1.0
O O33 1 0.88042688 0.77235689 0.91221291 1.0
O O34 1 0.12053312 0.22609235 0.91522568 1.0
O O35 1 0.37916618 0.27391613 0.08562988 1.0
O O36 1 0.77402706 0.11959523 0.08335620 1.0
O O37 1 0.27239297 0.62022529 0.91475214 1.0
