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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220956

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-1220956
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 7
  • Element list: ['Na', 'Zr', 'Ti', 'Mn', 'Si', 'O', 'F']
  • Chemical System: F-Mn-Na-O-Si-Ti-Zr
  • Density: 3.4661222286214692
  • Atomic Density: 0.08251866249073671
  • Unit Cell Volume: 727.108246655542
  • Molar Volume: 7.297913681860788
  • Full Formula: Na8 Zr3 Ti3 Mn2 Si8 O34 F2
  • Reduced Formula: Na8Zr3Ti3Mn2Si8(O17F)2
  • Formula Anonymous: A2B2C3D3E8F8G34
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -478.09525285
  • Final energy per atom: -7.968254214166667
  • 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.