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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221915

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-1221915
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 8
  • Element list: ['Na', 'Ca', 'Zr', 'Mn', 'Fe', 'Si', 'O', 'F']
  • Chemical System: Ca-F-Fe-Mn-Na-O-Si-Zr
  • Density: 3.6094552661149737
  • Atomic Density: 0.07926364136871406
  • Unit Cell Volume: 756.9674943508518
  • Molar Volume: 7.597608002875556
  • Full Formula: Na4 Ca4 Zr4 Mn2 Fe2 Si8 O34 F2
  • Reduced Formula: Na2Ca2Zr2MnFeSi4O17F
  • Formula Anonymous: ABCD2E2F2G4H17
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -485.87083152
  • Final energy per atom: -8.097847192
  • 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.