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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173732

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-1173732
  • 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: 40
  • Number of elements: 5
  • Element list: ['Na', 'Sm', 'Ti', 'Nb', 'O']
  • Chemical System: Na-Nb-O-Sm-Ti
  • Density: 4.77765730839106
  • Atomic Density: 0.08305099611074072
  • Unit Cell Volume: 481.631790986152
  • Molar Volume: 7.251136099523767
  • Full Formula: Na6 Sm2 Ti4 Nb4 O24
  • Reduced Formula: Na3SmTi2Nb2O12
  • Formula Anonymous: AB2C2D3E12
  • Spacegroup Number: 26
  • Spacegroup Symbol: Pmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -333.56935374
  • Final energy per atom: -8.3392338435
  • 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.