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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195373

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-1195373
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 120
  • Number of elements: 3
  • Element list: ['Th', 'Se', 'O']
  • Chemical System: O-Se-Th
  • Density: 4.656407275950178
  • Atomic Density: 0.059420780207126746
  • Unit Cell Volume: 2019.49552970709
  • Molar Volume: 10.134738620072381
  • Full Formula: Th8 Se32 O80
  • Reduced Formula: Th(Se2O5)2
  • Formula Anonymous: AB4C10
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -789.90843106
  • Final energy per atom: -6.582570258833333
  • 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.