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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223501

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-1223501
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 11
  • Number of elements: 4
  • Element list: ['K', 'La', 'Nb', 'O']
  • Chemical System: K-La-Nb-O
  • Density: 4.552737698092818
  • Atomic Density: 0.06338412877577795
  • Unit Cell Volume: 173.54502163960666
  • Molar Volume: 9.50102316828143
  • Full Formula: K1 La1 Nb2 O7
  • Reduced Formula: KLaNb2O7
  • Formula Anonymous: ABC2D7
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -96.00428609
  • Final energy per atom: -8.727662371818182
  • 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.