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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173853

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-1173853
  • 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: 79
  • Number of elements: 6
  • Element list: ['Na', 'Ca', 'Mg', 'Si', 'O', 'F']
  • Chemical System: Ca-F-Mg-Na-O-Si
  • Density: 2.811790942740928
  • Atomic Density: 0.08249758790832494
  • Unit Cell Volume: 957.6037554914742
  • Molar Volume: 7.299777984650988
  • Full Formula: Na3 Ca2 Mg10 Si16 O44 F4
  • Reduced Formula: Na3Ca2Mg10Si16(O11F)4
  • Formula Anonymous: A2B3C4D10E16F44
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -545.45932373
  • Final energy per atom: -6.90454840164557
  • 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.