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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220769

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-1220769
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 5
  • Element list: ['Na', 'Yb', 'Ti', 'Sb', 'O']
  • Chemical System: Na-O-Sb-Ti-Yb
  • Density: 6.6960456991318535
  • Atomic Density: 0.08025832045913509
  • Unit Cell Volume: 274.1148814745218
  • Molar Volume: 7.503447275683119
  • Full Formula: Na1 Yb3 Ti2 Sb2 O14
  • Reduced Formula: NaYb3Ti2(SbO7)2
  • Formula Anonymous: AB2C2D3E14
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -158.96395426
  • Final energy per atom: -7.225634284545455
  • 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.