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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223421

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-1223421
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 4
  • Element list: ['K', 'Pr', 'Si', 'O']
  • Chemical System: K-O-Pr-Si
  • Density: 5.322674185410612
  • Atomic Density: 0.07116443287617394
  • Unit Cell Volume: 590.1824591658022
  • Molar Volume: 8.462290102808128
  • Full Formula: K1 Pr9 Si6 O26
  • Reduced Formula: KPr9(Si3O13)2
  • Formula Anonymous: AB6C9D26
  • Spacegroup Number: 143
  • Spacegroup Symbol: P3
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -357.26553706
  • Final energy per atom: -8.506322310952381
  • 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.