Tb10Nd7Er3Si16
High-Entropy Materials HEAMP-ID: mp-3294388 · Space group: P1 (#1)
Basic Information
Formula
Tb10Nd7Er3Si16
MP-ID
mp-3294388
Elements
4
Sites
36
Density
6.8137
g/cm³
Volume
865.18
ų
Cell a
7.7583
Å
Cell b
7.7613
Å
Cell c
14.3683
Å
α Angle
89.98
°
β Angle
89.94
°
γ Angle
90.08
°
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 |
|---|---|---|---|
| 12.96 | 6.8299 | 6.6 | (0,1,1) |
| 12.96 | 6.8297 | 6.1 | (1,0,1) |
| 12.97 | 6.8276 | 5.0 | (0,1,-1) |
| 12.97 | 6.8237 | 4.9 | (1,0,-1) |
| 16.14 | 5.4909 | 2.8 | (1,-1,0) |
| 16.17 | 5.4831 | 3.5 | (1,1,0) |
| 16.81 | 5.2740 | 1.9 | (1,0,2) |
| 16.81 | 5.2733 | 1.3 | (0,1,2) |
| 16.82 | 5.2711 | 1.3 | (0,1,-2) |
| 16.83 | 5.2685 | 1.6 | (1,0,-2) |
| 20.35 | 4.3635 | 9.8 | (1,-1,2) |
| 20.36 | 4.3616 | 11.0 | (1,-1,-2) |
| 20.36 | 4.3608 | 11.3 | (1,1,2) |
| 20.39 | 4.3565 | 10.7 | (1,1,-2) |
| 22.92 | 3.8807 | 10.2 | (0,2,0) |
| 22.93 | 3.8792 | 9.9 | (2,0,0) |
| 23.75 | 3.7468 | 16.8 | (0,2,1) |
| 23.75 | 3.7460 | 18.7 | (2,0,1) |
| 23.75 | 3.7460 | 18.4 | (0,2,-1) |
| 23.76 | 3.7441 | 17.9 | (2,0,-1) |
| 24.66 | 3.6101 | 18.6 | (1,-1,3) |
| 24.67 | 3.6089 | 18.6 | (1,1,3) |
| 24.67 | 3.6085 | 19.7 | (1,-1,-3) |
| 24.69 | 3.6053 | 20.5 | (1,1,-3) |
Energy Properties
Formation Energy/atom
-0.84340
eV/atom
Energy/atom
-21.96415
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-21.9642
eV/atom
Volume/atom
24.03
ų
c/a Ratio
1.8520
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
2.9349
μB
Mag. Ordering
FM
Mag. Sites
19
Magnetization/Volume
0.003390
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Si · 0.444
Element Family
Metalloid-Nonmetal
Solute Fraction
0.556
Interstitial Fraction
0.444
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.2417
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.3237
J/mol·K
Ω Parameter
1.3447
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
20.352%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3818
smaller = more stable mixing
VEC
5.861
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-12.319
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8957
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3294388
Reference Citation
The crystal structure and related material properties of Tb10Nd7Er3Si16 were obtained from the Materials Project database (MP-ID: mp-3294388, 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_Tb10Nd7Er3Si16
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.75830905
_cell_length_b 7.76131004
_cell_length_c 14.36825397
_cell_angle_alpha 89.97653312
_cell_angle_beta 89.94036573
_cell_angle_gamma 90.08150063
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tb10Nd7Er3Si16
_chemical_formula_sum 'Tb10 Nd7 Er3 Si16'
_cell_volume 865.17785068
_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 0.49033963 0.36355471 0.12482455 1.0
Tb Tb1 1 0.99014824 0.13445168 0.62477555 1.0
Tb Tb2 1 0.86397631 0.00987548 0.87485533 1.0
Tb Tb3 1 0.13500718 0.99097363 0.37481788 1.0
Tb Tb4 1 0.51190776 0.63714374 0.62370126 1.0
Tb Tb5 1 0.36343977 0.49003882 0.87571162 1.0
Tb Tb6 1 0.63709114 0.51091090 0.37565674 1.0
Tb Tb7 1 0.00880281 0.86350992 0.12608588 1.0
Tb Tb8 1 0.63459242 0.99501811 0.45474955 1.0
Tb Tb9 1 0.31636869 0.31628478 0.49984983 1.0
Nd Nd10 1 0.36148769 0.00780022 0.95698806 1.0
Nd Nd11 1 0.99186041 0.63936289 0.54222967 1.0
Nd Nd12 1 0.49157945 0.86107079 0.20776280 1.0
Nd Nd13 1 0.50912169 0.13713099 0.70624230 1.0
Nd Nd14 1 0.86183762 0.49115355 0.79322362 1.0
Nd Nd15 1 0.13765757 0.50864955 0.29343912 1.0
Nd Nd16 1 0.00764972 0.36184839 0.04369913 1.0
Er Er17 1 0.18466412 0.81536165 0.74954787 1.0
Er Er18 1 0.81499073 0.18346691 0.25019078 1.0
Er Er19 1 0.68347669 0.68371772 0.00036384 1.0
Si Si20 1 0.29319796 0.93572869 0.56054467 1.0
Si Si21 1 0.70948318 0.06488313 0.06161387 1.0
Si Si22 1 0.93150916 0.28822679 0.43830693 1.0
Si Si23 1 0.43690424 0.20817580 0.31120649 1.0
Si Si24 1 0.56544283 0.78915149 0.81138604 1.0
Si Si25 1 0.20997922 0.43539997 0.68942752 1.0
Si Si26 1 0.78934311 0.56560124 0.18896381 1.0
Si Si27 1 0.06547335 0.71035418 0.93881097 1.0
Si Si28 1 0.79885881 0.84247800 0.69183282 1.0
Si Si29 1 0.20326503 0.15522054 0.19103126 1.0
Si Si30 1 0.84192870 0.80021072 0.31155114 1.0
Si Si31 1 0.34773502 0.70707465 0.43950380 1.0
Si Si32 1 0.65581543 0.29697963 0.94132966 1.0
Si Si33 1 0.70221035 0.34094243 0.55796114 1.0
Si Si34 1 0.29661714 0.65571412 0.05934267 1.0
Si Si35 1 0.15623383 0.20253517 0.80846880 1.0
