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  1. Third-Parties
  2. MatprojStructure
  3. mp-1019891

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-1019891
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 4
  • Element list: ['K', 'P', 'S', 'O']
  • Chemical System: K-O-P-S
  • Density: 2.074011221986787
  • Atomic Density: 0.04655722688441182
  • Unit Cell Volume: 1288.7365510184425
  • Molar Volume: 12.934921521316637
  • Full Formula: K12 P12 S12 O24
  • Reduced Formula: KPSO2
  • Formula Anonymous: ABCD2
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -372.95850875
  • Final energy per atom: -6.215975145833334
  • 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.