Sr5Cd2Sb5F

High-Entropy Materials HEA

MP-ID: mp-867155 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

Sr5Cd2Sb5F

MP-ID

mp-867155

Elements

Sites

Density

5.3384

g/cm³

Volume

802.97

Å³

Cell a

11.4735

Cell b

11.4735

Cell c

14.9072

α Angle

90.00

β Angle

90.00

γ Angle

155.85

Space Group

Cmcm

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
9.87	8.9644	23.4	(1,-1,1)
18.90	4.6947	3.7	(1,0,0)
19.54	4.5434	1.9	(1,-1,3)
19.81	4.4822	14.3	(2,-2,2)
19.83	4.4779	7.9	(1,0,1)
22.00	4.0403	1.7	(2,-1,0)
22.38	3.9724	11.9	(1,0,2)
22.80	3.8996	9.0	(2,-1,1)
23.79	3.7399	14.1	(3,-3,0)
23.88	3.7268	2.3	(0,0,4)
23.92	3.7197	8.2	(2,-2,3)
26.67	3.3427	20.9	(3,-3,2)
27.20	3.2785	36.0	(3,-2,0)
27.86	3.2020	8.3	(3,-2,1)
28.47	3.1348	50.3	(2,-1,3)
28.76	3.1042	24.0	(2,-2,4)
29.77	3.0010	79.1	(3,-2,2)
29.90	2.9881	22.2	(3,-3,3)
30.63	2.9189	100.0	(1,0,4)
31.91	2.8049	29.1	(4,-4,0)
32.73	2.7365	40.5	(3,-2,3)
34.05	2.6327	1.2	(2,-2,5)
34.16	2.6252	4.9	(4,-4,2)
34.17	2.6243	1.8	(4,-3,1)

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Energy Properties

Formation Energy/atom

-1.20905

eV/atom

Energy/atom

-3.74303

eV/atom

Energy above Hull

0.0351

eV/atom

Uncorrected Energy

-3.7075

eV/atom

Volume/atom

30.88

Å³

c/a Ratio

1.2993

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0063

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sr · 0.385

Element Family

Alkali-AlkEarth

Solute Fraction

0.615

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2203

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.1454

J/mol·K

Ω Parameter

2.4796

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

25.387%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.8142

smaller = more stable mixing

VEC

4.923

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.466

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8802

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (3)

aaacibcm aaadvdsg aaaeciet

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-867155

Reference Citation

The crystal structure and related material properties of Sr5Cd2Sb5F were obtained from the Materials Project database (MP-ID: mp-867155, 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_Sr5Cd2Sb5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.47350994
_cell_length_b   11.47350994
_cell_length_c   14.90723400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   155.84699107
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr5Cd2Sb5F
_chemical_formula_sum   'Sr10 Cd4 Sb10 F2'
_cell_volume   802.96860125
_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  0.90007100  0.09992900  0.25000000  1.0
  Sr  Sr1  1  0.09992900  0.90007100  0.75000000  1.0
  Sr  Sr2  1  0.09776900  0.90223100  0.25000000  1.0
  Sr  Sr3  1  0.90223100  0.09776900  0.75000000  1.0
  Sr  Sr4  1  0.72875300  0.27124700  0.61981400  1.0
  Sr  Sr5  1  0.27124700  0.72875300  0.11981400  1.0
  Sr  Sr6  1  0.27124700  0.72875300  0.38018600  1.0
  Sr  Sr7  1  0.72875300  0.27124700  0.88018600  1.0
  Sr  Sr8  1  0.00000000  0.00000000  0.00000000  1.0
  Sr  Sr9  1  0.00000000  0.00000000  0.50000000  1.0
  Cd  Cd10  1  0.63155900  0.36844100  0.08626400  1.0
  Cd  Cd11  1  0.36844100  0.63155900  0.58626400  1.0
  Cd  Cd12  1  0.36844100  0.63155900  0.91373600  1.0
  Cd  Cd13  1  0.63155900  0.36844100  0.41373600  1.0
  Sb  Sb14  1  0.50503500  0.49496500  0.15421300  1.0
  Sb  Sb15  1  0.49496500  0.50503500  0.65421300  1.0
  Sb  Sb16  1  0.49496500  0.50503500  0.84578700  1.0
  Sb  Sb17  1  0.50503500  0.49496500  0.34578700  1.0
  Sb  Sb18  1  0.70671600  0.29328400  0.25000000  1.0
  Sb  Sb19  1  0.29328400  0.70671600  0.75000000  1.0
  Sb  Sb20  1  0.85093400  0.14906600  0.02019700  1.0
  Sb  Sb21  1  0.14906600  0.85093400  0.52019700  1.0
  Sb  Sb22  1  0.14906600  0.85093400  0.97980300  1.0
  Sb  Sb23  1  0.85093400  0.14906600  0.47980300  1.0
  F  F24  1  0.34423700  0.65576300  0.25000000  1.0
  F  F25  1  0.65576300  0.34423700  0.75000000  1.0

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