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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221806

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-1221806
  • 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: 96
  • Number of elements: 4
  • Element list: ['Na', 'Ca', 'Si', 'O']
  • Chemical System: Ca-Na-O-Si
  • Density: 2.7329653154856817
  • Atomic Density: 0.0743066472014462
  • Unit Cell Volume: 1291.9436364790201
  • Molar Volume: 8.104444200898884
  • Full Formula: Na12 Ca12 Si18 O54
  • Reduced Formula: Na2Ca2(SiO3)3
  • Formula Anonymous: A2B2C3D9
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -708.18612071
  • Final energy per atom: -7.376938757395833
  • 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.