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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202168

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-1202168
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['Th', 'P', 'O']
  • Chemical System: O-P-Th
  • Density: 4.859335178037378
  • Atomic Density: 0.06885646602379135
  • Unit Cell Volume: 522.8267159043749
  • Molar Volume: 8.745933545179655
  • Full Formula: Th4 P6 O26
  • Reduced Formula: Th2P3O13
  • Formula Anonymous: A2B3C13
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -296.89300691
  • Final energy per atom: -8.247027969722222
  • 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.