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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221041

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-1221041
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 6
  • Element list: ['Na', 'Zr', 'Si', 'Sn', 'H', 'O']
  • Chemical System: H-Na-O-Si-Sn-Zr
  • Density: 2.693955277526321
  • Atomic Density: 0.08311848674844045
  • Unit Cell Volume: 1154.9777162154753
  • Molar Volume: 7.245248314284299
  • Full Formula: Na8 Zr3 Si16 Sn1 H16 O52
  • Reduced Formula: Na8Zr3Si16Sn(H4O13)4
  • Formula Anonymous: AB3C8D16E16F52
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -694.15438484
  • Final energy per atom: -7.230774842083334
  • 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.