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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197941

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-1197941
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 5
  • Element list: ['Na', 'Ca', 'Zr', 'Si', 'O']
  • Chemical System: Ca-Na-O-Si-Zr
  • Density: 2.1915841815879062
  • Atomic Density: 0.05648549366670273
  • Unit Cell Volume: 1487.107477464017
  • Molar Volume: 10.66139351730576
  • Full Formula: Na4 Ca2 Zr4 Si20 O54
  • Reduced Formula: Na2CaZr2Si10O27
  • Formula Anonymous: AB2C2D10E27
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -680.4356821799998
  • Final energy per atom: -8.100424787857142
  • 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.