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  1. Third-Parties
  2. MatprojStructure
  3. mp-558087

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-558087
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 4
  • Element list: ['Na', 'Ca', 'Si', 'O']
  • Chemical System: Ca-Na-O-Si
  • Density: 2.63714012517293
  • Atomic Density: 0.07258860482477675
  • Unit Cell Volume: 743.918417089732
  • Molar Volume: 8.296261891982882
  • Full Formula: Na4 Ca6 Si12 O32
  • Reduced Formula: Na2Ca3(Si3O8)2
  • Formula Anonymous: A2B3C6D16
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -416.06170855
  • Final energy per atom: -7.70484645462963
  • 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.