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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211814

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-1211814
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 4
  • Element list: ['K', 'Nb', 'P', 'O']
  • Chemical System: K-Nb-O-P
  • Density: 3.251205465469331
  • Atomic Density: 0.06446484236708594
  • Unit Cell Volume: 992.789211141804
  • Molar Volume: 9.341744335164538
  • Full Formula: K8 Nb8 P8 O40
  • Reduced Formula: KNbPO5
  • Formula Anonymous: ABCD5
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -507.80910173
  • Final energy per atom: -7.93451721453125
  • 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.