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  1. Third-Parties
  2. MatprojStructure
  3. mp-568343

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-568343
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 4
  • Element list: ['K', 'Pr', 'Os', 'I']
  • Chemical System: I-K-Os-Pr
  • Density: 4.950213605240145
  • Atomic Density: 0.022894085221185568
  • Unit Cell Volume: 3144.9170955899626
  • Molar Volume: 26.304351983573792
  • Full Formula: K4 Pr24 Os4 I40
  • Reduced Formula: KPr6OsI10
  • Formula Anonymous: ABC6D10
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -329.0933970100001
  • Final energy per atom: -4.57074162513889
  • 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.