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  1. Third-Parties
  2. MatprojStructure
  3. mp-757224

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-757224
  • 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: 66
  • Number of elements: 3
  • Element list: ['Th', 'P', 'O']
  • Chemical System: O-P-Th
  • Density: 5.0448837587765345
  • Atomic Density: 0.06765086704644929
  • Unit Cell Volume: 975.5972522079311
  • Molar Volume: 8.901793905856637
  • Full Formula: Th8 P12 O46
  • Reduced Formula: Th4P6O23
  • Formula Anonymous: A4B6C23
  • Spacegroup Number: 26
  • Spacegroup Symbol: Pmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -575.90010965
  • Final energy per atom: -8.725759237121212
  • 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.