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  1. Third-Parties
  2. MatprojStructure
  3. mp-1179369

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-1179369
  • 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: 76
  • Number of elements: 3
  • Element list: ['Th', 'S', 'O']
  • Chemical System: O-S-Th
  • Density: 2.637137238120428
  • Atomic Density: 0.05464790333572979
  • Unit Cell Volume: 1390.7212420043538
  • Molar Volume: 11.019893522726637
  • Full Formula: Th4 S8 O64
  • Reduced Formula: Th(SO8)2
  • Formula Anonymous: AB2C16
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -453.3385568
  • Final energy per atom: -5.964981010526316
  • 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.