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  1. Third-Parties
  2. MatprojStructure
  3. mp-568011

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-568011
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 4
  • Element list: ['K', 'P', 'Ru', 'Se']
  • Chemical System: K-P-Ru-Se
  • Density: 3.6096125077374817
  • Atomic Density: 0.03551791577706423
  • Unit Cell Volume: 1069.8825977998006
  • Molar Volume: 16.95522000164438
  • Full Formula: K6 P10 Ru2 Se20
  • Reduced Formula: K3P5RuSe10
  • Formula Anonymous: AB3C5D10
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -178.67709223
  • Final energy per atom: -4.702028742894737
  • 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.