Er8Nb11Si16Pt
高熵材料 HEAMP-ID: mp-3293458 · Space group: C2 (#5)
Basic Information
Formula
Er8Nb11Si16Pt
MP-ID
mp-3293458
Elements
4
Sites
36
Density
7.8468
g/cm³
Volume
635.81
ų
Cell a
7.0181
Å
Cell b
7.0181
Å
Cell c
12.9095
Å
α Angle
90.23
°
β Angle
89.77
°
γ Angle
89.64
°
Space Group
C2
Point Group
2
Crystal System
Monoclinic
Bravais Lattice
mC
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 |
|---|---|---|---|
| 6.85 | 12.9093 | 9.4 | (0,0,1) |
| 12.61 | 7.0179 | 3.9 | (1,0,0) |
| 13.72 | 6.4546 | 1.8 | (0,0,2) |
| 14.34 | 6.1764 | 1.4 | (1,0,1) |
| 14.39 | 6.1551 | 2.8 | (1,0,-1) |
| 17.82 | 4.9783 | 7.0 | (1,1,0) |
| 17.93 | 4.9467 | 1.4 | (1,-1,0) |
| 18.64 | 4.7605 | 1.4 | (1,0,2) |
| 18.72 | 4.7411 | 1.5 | (1,0,-2) |
| 19.11 | 4.6449 | 24.8 | (1,1,1) |
| 19.18 | 4.6281 | 3.8 | (1,-1,1) |
| 19.25 | 4.6102 | 12.2 | (1,-1,-1) |
| 22.56 | 3.9420 | 5.4 | (1,1,2) |
| 22.58 | 3.9373 | 3.4 | (1,-1,2) |
| 22.71 | 3.9153 | 3.5 | (1,-1,-2) |
| 24.22 | 3.6751 | 7.3 | (1,0,3) |
| 24.31 | 3.6617 | 3.2 | (1,0,-3) |
| 25.38 | 3.5089 | 7.2 | (2,0,0) |
| 26.29 | 3.3896 | 12.1 | (2,0,1) |
| 26.35 | 3.3826 | 18.1 | (2,0,-1) |
| 27.39 | 3.2560 | 13.8 | (1,-1,3) |
| 27.40 | 3.2555 | 24.8 | (1,1,3) |
| 27.55 | 3.2373 | 5.7 | (1,-1,-3) |
| 27.64 | 3.2273 | 12.4 | (0,0,4) |
Energy Properties
Formation Energy/atom
-0.86936
eV/atom
Energy/atom
-21.29564
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-21.2956
eV/atom
Volume/atom
17.66
ų
c/a Ratio
1.8395
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0037
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Si · 0.444
Element Family
Metalloid-Nonmetal
Solute Fraction
0.556
Interstitial Fraction
0.444
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.1565
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.6149
J/mol·K
Ω Parameter
0.6608
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
16.331%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2765
smaller = more stable mixing
VEC
6.250
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-29.787
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8342
SS Former
0
Phase Tendency
AM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3293458
Reference Citation
The crystal structure and related material properties of Er8Nb11Si16Pt were obtained from the Materials Project database (MP-ID: mp-3293458, 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_Er8Nb11Si16Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.01808116
_cell_length_b 7.01808119
_cell_length_c 12.90947218
_cell_angle_alpha 90.23413564
_cell_angle_beta 89.76586319
_cell_angle_gamma 89.63624278
_symmetry_Int_Tables_number 1
_chemical_formula_structural Er8Nb11Si16Pt
_chemical_formula_sum 'Er8 Nb11 Si16 Pt1'
_cell_volume 635.81271468
_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
Er Er0 1 0.34130635 0.00012005 0.46696231 1.0
Er Er1 1 0.49758281 0.84234227 0.71829475 1.0
Er Er2 1 0.50184042 0.15846929 0.21557859 1.0
Er Er3 1 0.84234227 0.49758281 0.28170525 1.0
Er Er4 1 0.15846929 0.50184042 0.78442141 1.0
Er Er5 1 0.65667523 0.00227221 0.96807430 1.0
Er Er6 1 0.00012005 0.34130635 0.53303769 1.0
Er Er7 1 0.00227221 0.65667523 0.03192570 1.0
Nb Nb8 1 0.17360935 0.82701194 0.24813056 1.0
Nb Nb9 1 0.82701194 0.17360935 0.75186944 1.0
Nb Nb10 1 0.67120758 0.67120758 0.50000000 1.0
Nb Nb11 1 0.14876037 0.00459781 0.87514870 1.0
Nb Nb12 1 0.49574913 0.65435074 0.12159503 1.0
Nb Nb13 1 0.50498940 0.34944095 0.62495723 1.0
Nb Nb14 1 0.65435074 0.49574913 0.87840497 1.0
Nb Nb15 1 0.34944095 0.50498940 0.37504277 1.0
Nb Nb16 1 0.84976460 0.99176473 0.37273407 1.0
Nb Nb17 1 0.00459781 0.14876037 0.12485130 1.0
Nb Nb18 1 0.99176473 0.84976460 0.62726593 1.0
Si Si19 1 0.20431528 0.13744292 0.68309079 1.0
Si Si20 1 0.36935248 0.71240126 0.93069851 1.0
Si Si21 1 0.63546181 0.29355884 0.43139640 1.0
Si Si22 1 0.71240126 0.36935248 0.06930149 1.0
Si Si23 1 0.29355884 0.63546181 0.56860360 1.0
Si Si24 1 0.79537359 0.86354571 0.18140645 1.0
Si Si25 1 0.13744292 0.20431528 0.31690921 1.0
Si Si26 1 0.86354571 0.79537359 0.81859355 1.0
Si Si27 1 0.29009918 0.94894218 0.06108795 1.0
Si Si28 1 0.54612534 0.79434400 0.31203611 1.0
Si Si29 1 0.44972297 0.20836209 0.81490001 1.0
Si Si30 1 0.79434400 0.54612534 0.68796389 1.0
Si Si31 1 0.20836209 0.44972297 0.18509999 1.0
Si Si32 1 0.70455966 0.04693403 0.56267224 1.0
Si Si33 1 0.94894218 0.29009918 0.93891205 1.0
Si Si34 1 0.04693403 0.70455966 0.43732776 1.0
Pt Pt35 1 0.32760645 0.32760645 0.00000000 1.0
