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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200960

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-1200960
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 5
  • Element list: ['K', 'Na', 'Sm', 'Nb', 'O']
  • Chemical System: K-Na-Nb-O-Sm
  • Density: 5.235413813535212
  • Atomic Density: 0.06477930212218087
  • Unit Cell Volume: 710.103358527064
  • Molar Volume: 9.296396476518968
  • Full Formula: K4 Na4 Sm8 Nb4 O26
  • Reduced Formula: K2Na2Sm4Nb2O13
  • Formula Anonymous: A2B2C2D4E13
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -363.99790406
  • Final energy per atom: -7.912997914347826
  • 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.