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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201520

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-1201520
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 5
  • Element list: ['Na', 'Zr', 'Si', 'Cl', 'O']
  • Chemical System: Cl-Na-O-Si-Zr
  • Density: 2.762419846857216
  • Atomic Density: 0.06886377021199658
  • Unit Cell Volume: 493.7284132909259
  • Molar Volume: 8.74500588838062
  • Full Formula: Na5 Zr2 Si6 Cl1 O20
  • Reduced Formula: Na5Zr2Si6ClO20
  • Formula Anonymous: AB2C5D6E20
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -252.05582237
  • Final energy per atom: -7.413406540294117
  • 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.