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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223540

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-1223540
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 4
  • Element list: ['K', 'Nb', 'P', 'O']
  • Chemical System: K-Nb-O-P
  • Density: 3.244870302971528
  • Atomic Density: 0.06606482363496792
  • Unit Cell Volume: 1332.0250499150936
  • Molar Volume: 9.115502666403092
  • Full Formula: K4 Nb12 P12 O60
  • Reduced Formula: KNb3(PO5)3
  • Formula Anonymous: AB3C3D15
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -742.02256414
  • Final energy per atom: -8.4320745925
  • 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.