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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227334

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-1227334
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 4
  • Element list: ['Ca', 'Si', 'O', 'F']
  • Chemical System: Ca-F-O-Si
  • Density: 2.872283628879075
  • Atomic Density: 0.07108943336664283
  • Unit Cell Volume: 844.0072899519507
  • Molar Volume: 8.471217837594637
  • Full Formula: Ca16 Si8 O30 F6
  • Reduced Formula: Ca8Si4(O5F)3
  • Formula Anonymous: A3B4C8D15
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -445.69512447
  • Final energy per atom: -7.4282520745
  • 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.