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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199076

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-1199076
  • 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: 36
  • Number of elements: 4
  • Element list: ['Th', 'P', 'N', 'O']
  • Chemical System: N-O-P-Th
  • Density: 5.102776848579913
  • Atomic Density: 0.07249485861918623
  • Unit Cell Volume: 496.5869398974505
  • Molar Volume: 8.306990143444741
  • Full Formula: Th4 P6 N2 O24
  • Reduced Formula: Th2P3NO12
  • Formula Anonymous: AB2C3D12
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -297.23108951999995
  • Final energy per atom: -8.256419153333333
  • 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.