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  1. Third-Parties
  2. MatprojStructure
  3. mp-6296

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-6296
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 4
  • Element list: ['K', 'Cd', 'Sn', 'Se']
  • Chemical System: Cd-K-Se-Sn
  • Density: 3.1415918903142805
  • Atomic Density: 0.023799419341346117
  • Unit Cell Volume: 1092.463628086542
  • Molar Volume: 25.303729782759408
  • Full Formula: K6 Cd4 Sn3 Se13
  • Reduced Formula: K6Cd4Sn3Se13
  • Formula Anonymous: A3B4C6D13
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -94.25450381
  • Final energy per atom: -3.6251732234615384
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.