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  1. Third-Parties
  2. MatprojStructure
  3. mp-18828

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-18828
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['O', 'Fe', 'Tl']
  • Chemical System: Fe-O-Tl
  • Density: 6.065936068483751
  • Atomic Density: 0.050002098858311375
  • Unit Cell Volume: 159.99328393532497
  • Molar Volume: 12.04377595641467
  • Full Formula: Tl2 Fe2 O4
  • Reduced Formula: TlFeO2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -50.79400611
  • Final energy per atom: -6.34925076375
  • 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.