Te7OsO5F32
High-Entropy Materials HEAMP-ID: mp-648788 · Space group: P-1 (#2)
Basic Information
Formula
Te7OsO5F32
MP-ID
mp-648788
Elements
4
Sites
90
Density
3.5572
g/cm³
Volume
1,653.79
ų
Cell a
10.4883
Å
Cell b
10.7711
Å
Cell c
15.7146
Å
α Angle
78.63
°
β Angle
82.19
°
γ Angle
72.44
°
Space Group
P-1
Point Group
-1
Crystal System
Triclinic
Bravais Lattice
aP
Stability
No
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 |
|---|---|---|---|
| 5.76 | 15.3550 | 48.5 | (0,0,1) |
| 8.73 | 10.1278 | 60.9 | (0,1,0) |
| 8.87 | 9.9659 | 46.3 | (1,0,0) |
| 9.63 | 9.1803 | 94.7 | (0,1,1) |
| 10.18 | 8.6900 | 3.8 | (1,0,1) |
| 10.93 | 8.0962 | 44.1 | (1,1,1) |
| 10.97 | 8.0642 | 19.2 | (1,0,-1) |
| 11.23 | 7.8773 | 5.3 | (0,1,-1) |
| 11.53 | 7.6775 | 4.7 | (0,0,2) |
| 13.02 | 6.7977 | 27.2 | (1,1,-1) |
| 13.27 | 6.6720 | 7.6 | (0,1,2) |
| 13.97 | 6.3374 | 8.6 | (1,0,2) |
| 14.12 | 6.2711 | 21.8 | (1,-1,0) |
| 14.99 | 5.9119 | 20.3 | (1,-1,-1) |
| 15.13 | 5.8552 | 1.8 | (1,0,-2) |
| 15.59 | 5.6829 | 31.5 | (0,1,-2) |
| 17.00 | 5.2151 | 12.9 | (1,2,1) |
| 17.18 | 5.1600 | 4.8 | (1,1,-2) |
| 17.25 | 5.1404 | 18.4 | (1,2,0) |
| 17.33 | 5.1183 | 61.2 | (0,0,3) |
| 17.51 | 5.0645 | 23.3 | (0,2,1) |
| 17.51 | 5.0639 | 1.7 | (0,2,0) |
| 17.80 | 4.9830 | 11.4 | (2,0,0) |
| 18.08 | 4.9061 | 4.3 | (0,1,3) |
Energy Properties
Formation Energy/atom
-2.09335
eV/atom
Energy/atom
-4.74306
eV/atom
Energy above Hull
0.2022
eV/atom
Uncorrected Energy
-4.3382
eV/atom
Volume/atom
18.38
ų
c/a Ratio
1.4983
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
1.5422
μB
Mag. Ordering
FM
Mag. Sites
2
Magnetization/Volume
0.000930
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
F · 0.711
Element Family
Metalloid-Nonmetal
Solute Fraction
0.289
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.8606
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.1552
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
50.453%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.7064
smaller = more stable mixing
VEC
4.800
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.6208
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-648788
Reference Citation
The crystal structure and related material properties of Te7OsO5F32 were obtained from the Materials Project database (MP-ID: mp-648788, 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_Te7OsO5F32
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.48831700
_cell_length_b 10.77108394
_cell_length_c 15.71461892
_cell_angle_alpha 78.63483014
_cell_angle_beta 82.19458476
_cell_angle_gamma 72.43566495
_symmetry_Int_Tables_number 1
_chemical_formula_structural Te7OsO5F32
_chemical_formula_sum 'Te14 Os2 O10 F64'
_cell_volume 1653.79045452
_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
Te Te0 1 0.00381900 0.40030600 0.94293100 1.0
Te Te1 1 0.47767300 0.28654700 0.93230800 1.0
Te Te2 1 0.20055300 0.73695200 0.85601400 1.0
Te Te3 1 0.71769800 0.59739700 0.37823100 1.0
Te Te4 1 0.79944700 0.26304800 0.14398600 1.0
Te Te5 1 0.52232700 0.71345300 0.06769200 1.0
Te Te6 1 0.99618100 0.59969400 0.05706900 1.0
Te Te7 1 0.20948400 0.01449500 0.28697500 1.0
Te Te8 1 0.78445300 0.53664000 0.70299500 1.0
Te Te9 1 0.28165500 0.88150400 0.60821600 1.0
Te Te10 1 0.28230200 0.40260300 0.62176900 1.0
Te Te11 1 0.79051600 0.98550500 0.71302500 1.0
Te Te12 1 0.21554700 0.46336000 0.29700500 1.0
Te Te13 1 0.71834500 0.11849600 0.39178400 1.0
Os Os14 1 0.97012900 0.28833600 0.37349000 1.0
Os Os15 1 0.02987100 0.71166400 0.62651000 1.0
O O16 1 0.20831300 0.59362600 0.61797800 1.0
O O17 1 0.13312300 0.19075200 0.31630200 1.0
O O18 1 0.03588800 0.43992800 0.33003800 1.0
O O19 1 0.99366800 0.74277900 0.52202200 1.0
O O20 1 0.79168700 0.40637400 0.38202200 1.0
O O21 1 0.96411200 0.56007200 0.66996200 1.0
O O22 1 0.10324700 0.85742700 0.62419200 1.0
O O23 1 0.86687700 0.80924800 0.68369800 1.0
O O24 1 0.89675300 0.14257300 0.37580800 1.0
O O25 1 0.00633200 0.25722100 0.47797800 1.0
F F26 1 0.22735900 0.98804700 0.69579600 1.0
F F27 1 0.36182500 0.71931400 0.14572800 1.0
F F28 1 0.61131700 0.80625500 0.12573600 1.0
F F29 1 0.93460000 0.96806700 0.77995000 1.0
F F30 1 0.14537900 0.39197400 0.55961900 1.0
F F31 1 0.29416900 0.08651400 0.18434300 1.0
F F32 1 0.34068300 0.74062200 0.70530800 1.0
F F33 1 0.29349100 0.84661000 0.26156500 1.0
F F34 1 0.18353400 0.57144200 0.38214900 1.0
F F35 1 0.86465300 0.38781500 0.78475200 1.0
F F36 1 0.34873900 0.76643800 0.52619000 1.0
F F37 1 0.61751400 0.50439200 0.73321800 1.0
F F38 1 0.85462100 0.60802600 0.44038100 1.0
F F39 1 0.80833100 0.34191600 0.01667000 1.0
F F40 1 0.42637500 0.87898400 0.01202700 1.0
F F41 1 0.90118100 0.32459100 0.23318100 1.0
F F42 1 0.64125400 0.00118200 0.65386400 1.0
F F43 1 0.30044700 0.31431700 0.37587200 1.0
F F44 1 0.05373300 0.28598600 0.05310600 1.0
F F45 1 0.65001800 0.41037400 0.15094000 1.0
F F46 1 0.74784300 0.63108700 0.79730800 1.0
F F47 1 0.25215700 0.36891300 0.20269200 1.0
F F48 1 0.61907200 0.55895100 0.48423200 1.0
F F49 1 0.63509300 0.77666600 0.38004800 1.0
F F50 1 0.33743200 0.29229300 0.02773000 1.0
F F51 1 0.16042400 0.45733700 0.89460000 1.0
F F52 1 0.63817500 0.28068600 0.85427200 1.0
F F53 1 0.44486600 0.62676300 0.99993600 1.0
F F54 1 0.09881900 0.67540900 0.76681900 1.0
F F55 1 0.22470900 0.02948000 0.52282300 1.0
F F56 1 0.77529100 0.97052000 0.47717700 1.0
F F57 1 0.19310800 0.35939800 0.73102800 1.0
F F58 1 0.87117400 0.06750200 0.61163700 1.0
F F59 1 0.57362500 0.12101600 0.98797300 1.0
F F60 1 0.30720100 0.84495200 0.86898600 1.0
F F61 1 0.54888200 0.09181900 0.40194000 1.0
F F62 1 0.96444600 0.80476000 0.28553900 1.0
F F63 1 0.57584400 0.59233300 0.31905600 1.0
F F64 1 0.42415600 0.40766700 0.68094400 1.0
F F65 1 0.55513400 0.37323700 0.00006400 1.0
F F66 1 0.06540000 0.03193300 0.22005000 1.0
F F67 1 0.12882600 0.93249800 0.38836300 1.0
F F68 1 0.94626700 0.71401400 0.94689400 1.0
F F69 1 0.65931700 0.25937800 0.29469200 1.0
F F70 1 0.77264100 0.01195300 0.30420400 1.0
F F71 1 0.36490700 0.22333400 0.61995200 1.0
F F72 1 0.35874600 0.99881800 0.34613600 1.0
F F73 1 0.66256800 0.70770700 0.97227000 1.0
F F74 1 0.65126100 0.23356200 0.47381000 1.0
F F75 1 0.19166900 0.65808400 0.98333000 1.0
F F76 1 0.69955300 0.68568300 0.62412800 1.0
F F77 1 0.03555400 0.19524000 0.71446100 1.0
F F78 1 0.81646600 0.42855800 0.61785100 1.0
F F79 1 0.83957600 0.54266300 0.10540000 1.0
F F80 1 0.34998200 0.58962600 0.84906000 1.0
F F81 1 0.38868300 0.19374500 0.87426400 1.0
F F82 1 0.13534700 0.61218500 0.21524800 1.0
F F83 1 0.38092800 0.44104900 0.51576800 1.0
F F84 1 0.70583100 0.91348600 0.81565700 1.0
F F85 1 0.45111800 0.90818100 0.59806000 1.0
F F86 1 0.80689200 0.64060200 0.26897200 1.0
F F87 1 0.69279900 0.15504800 0.13101400 1.0
F F88 1 0.70650900 0.15339000 0.73843500 1.0
F F89 1 0.38248600 0.49560800 0.26678200 1.0
