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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173844

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-1173844
  • 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: 88
  • Number of elements: 5
  • Element list: ['Na', 'La', 'Th', 'Ti', 'O']
  • Chemical System: La-Na-O-Th-Ti
  • Density: 5.186994152863438
  • Atomic Density: 0.08272369383669075
  • Unit Cell Volume: 1063.7822843564686
  • Molar Volume: 7.2798257436238645
  • Full Formula: Na7 La7 Th2 Ti18 O54
  • Reduced Formula: Na7La7Th2Ti18O54
  • Formula Anonymous: A2B7C7D18E54
  • Spacegroup Number: 42
  • Spacegroup Symbol: Fmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -772.9368461099999
  • Final energy per atom: -8.78337325125
  • 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.