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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173821

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-1173821
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 5
  • Element list: ['Na', 'Ca', 'Ti', 'Fe', 'O']
  • Chemical System: Ca-Fe-Na-O-Ti
  • Density: 3.976910292153848
  • Atomic Density: 0.08511451580997725
  • Unit Cell Volume: 328.96856351167537
  • Molar Volume: 7.075339268151104
  • Full Formula: Na3 Ca1 Ti3 Fe5 O16
  • Reduced Formula: Na3CaTi3Fe5O16
  • Formula Anonymous: AB3C3D5E16
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -212.24836439
  • Final energy per atom: -7.580298728214286
  • 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.