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  1. Third-Parties
  2. MatprojStructure
  3. mp-1182805

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-1182805
  • 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: 67
  • Number of elements: 4
  • Element list: ['Ca', 'Si', 'O', 'F']
  • Chemical System: Ca-F-O-Si
  • Density: 2.589122863037135
  • Atomic Density: 0.06801966271886396
  • Unit Cell Volume: 985.0092946935301
  • Molar Volume: 8.853529287392178
  • Full Formula: Ca13 Si10 O34 F10
  • Reduced Formula: Ca13Si10(O17F5)2
  • Formula Anonymous: A10B10C13D34
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -474.31266903
  • Final energy per atom: -7.07929356761194
  • 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.