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  1. Third-Parties
  2. MatprojStructure
  3. mp-1210579

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-1210579
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 6
  • Element list: ['Na', 'Ca', 'Zr', 'Si', 'O', 'F']
  • Chemical System: Ca-F-Na-O-Si-Zr
  • Density: 3.200411796578845
  • Atomic Density: 0.07539538805857075
  • Unit Cell Volume: 795.8046446208238
  • Molar Volume: 7.987412645613962
  • Full Formula: Na8 Ca4 Zr4 Si8 O28 F8
  • Reduced Formula: Na2CaZrSi2O7F2
  • Formula Anonymous: ABC2D2E2F7
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -452.15691842
  • Final energy per atom: -7.535948640333333
  • 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.