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  1. Third-Parties
  2. MatprojStructure
  3. mp-757636

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-757636
  • 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: 40
  • Number of elements: 3
  • Element list: ['Nb', 'Tl', 'O']
  • Chemical System: Nb-O-Tl
  • Density: 7.2236160625704935
  • Atomic Density: 0.06299328076622573
  • Unit Cell Volume: 634.9883592893651
  • Molar Volume: 9.559973201505027
  • Full Formula: Nb8 Tl8 O24
  • Reduced Formula: NbTlO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -316.65910549
  • Final energy per atom: -7.91647763725
  • 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.