Sr2Cu2TeO7
High-Entropy Materials HEAMP-ID: mp-1046197 · Space group: Ima2 (#46)
Basic Information
Formula
Sr2Cu2TeO7
MP-ID
mp-1046197
Elements
4
Sites
24
Density
4.9571
g/cm³
Volume
363.07
ų
Cell a
14.0351
Å
Cell b
14.0351
Å
Cell c
14.0351
Å
α Angle
158.88
°
β Angle
158.61
°
γ Angle
30.24
°
Space Group
Ima2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
oI
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 |
|---|---|---|---|
| 6.52 | 13.5493 | 22.0 | (1,1,-1) |
| 13.07 | 6.7747 | 4.7 | (2,2,-2) |
| 19.66 | 4.5164 | 24.2 | (3,3,-3) |
| 24.32 | 3.6602 | 11.7 | (1,-1,0) |
| 25.20 | 3.5336 | 1.4 | (2,0,-1) |
| 27.70 | 3.2203 | 100.0 | (3,1,-2) |
| 31.46 | 2.8436 | 62.2 | (4,2,-3) |
| 33.06 | 2.7099 | 29.9 | (5,5,-5) |
| 34.44 | 2.6042 | 29.9 | (1,-1,1) |
| 34.88 | 2.5724 | 28.9 | (1,-1,-1) |
| 35.09 | 2.5574 | 4.3 | (0,2,-2) |
| 35.52 | 2.5273 | 4.3 | (2,0,-2) |
| 36.13 | 2.4861 | 23.1 | (5,3,-4) |
| 39.92 | 2.2582 | 1.3 | (6,6,-6) |
| 41.46 | 2.1779 | 3.6 | (6,4,-5) |
| 43.85 | 2.0646 | 3.9 | (3,5,-5) |
| 44.21 | 2.0486 | 3.8 | (5,3,-5) |
| 46.94 | 1.9356 | 1.2 | (7,7,-7) |
| 47.30 | 1.9219 | 12.0 | (7,5,-6) |
| 48.48 | 1.8777 | 18.5 | (4,6,-6) |
| 48.81 | 1.8657 | 18.0 | (6,4,-6) |
| 49.83 | 1.8301 | 34.0 | (2,-2,0) |
| 51.74 | 1.7668 | 1.3 | (4,0,-2) |
| 53.56 | 1.7111 | 11.2 | (8,6,-7) |
Energy Properties
Formation Energy/atom
-1.72034
eV/atom
Energy/atom
-5.83386
eV/atom
Energy above Hull
0.3075
eV/atom
Uncorrected Energy
-5.4331
eV/atom
Volume/atom
15.13
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.3784
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.001040
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.583
Element Family
Metalloid-Nonmetal
Solute Fraction
0.417
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.1187
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.3012
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
52.796%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.9822
smaller = more stable mixing
VEC
4.833
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8070
SS Former
0
Phase Tendency
IM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1046197
Reference Citation
The crystal structure and related material properties of Sr2Cu2TeO7 were obtained from the Materials Project database (MP-ID: mp-1046197, 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_Sr2Cu2TeO7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 14.03504871
_cell_length_b 14.03504871
_cell_length_c 14.03504871
_cell_angle_alpha 158.87752858
_cell_angle_beta 158.61356030
_cell_angle_gamma 30.23647293
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr2Cu2TeO7
_chemical_formula_sum 'Sr4 Cu4 Te2 O14'
_cell_volume 363.07482248
_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 0.64223800 0.61851100 0.98305200 1.0
Sr Sr1 1 0.35776200 0.34081400 0.97627300 1.0
Sr Sr2 1 0.13545900 0.11851100 0.97627300 1.0
Sr Sr3 1 0.86454100 0.84081400 0.98305200 1.0
Cu Cu4 1 0.56025300 0.03900500 0.47901500 1.0
Cu Cu5 1 0.43974700 0.91876200 0.47875200 1.0
Cu Cu6 1 0.05999000 0.53900500 0.47875200 1.0
Cu Cu7 1 0.94001000 0.41876200 0.47901500 1.0
Te Te8 1 0.24719700 0.75491900 0.50211600 1.0
Te Te9 1 0.75280300 0.25491900 0.50772200 1.0
O O10 1 0.87484400 0.62917900 0.00402200 1.0
O O11 1 0.12515600 0.12917900 0.75433500 1.0
O O12 1 0.32635200 0.30532200 0.48047500 1.0
O O13 1 0.67364800 0.15412300 0.97897000 1.0
O O14 1 0.32484700 0.80532200 0.97897000 1.0
O O15 1 0.67515300 0.65412300 0.48047500 1.0
O O16 1 0.82497100 0.80368700 0.47829700 1.0
O O17 1 0.17502900 0.65332700 0.97871700 1.0
O O18 1 0.82539000 0.30368700 0.97871700 1.0
O O19 1 0.17461000 0.15332700 0.47829700 1.0
O O20 1 0.16085300 0.66623200 0.47445900 1.0
O O21 1 0.83914700 0.31360600 0.50537800 1.0
O O22 1 0.69177300 0.16623200 0.50537800 1.0
O O23 1 0.30822700 0.81360600 0.47445900 1.0
