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  1. Third-Parties
  2. MatprojStructure
  3. mp-1189314

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-1189314
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Th', 'Cr', 'O']
  • Chemical System: Cr-O-Th
  • Density: 4.063705838382684
  • Atomic Density: 0.05561444825282477
  • Unit Cell Volume: 323.6569014974583
  • Molar Volume: 10.828374548684161
  • Full Formula: Th2 Cr2 O14
  • Reduced Formula: ThCrO7
  • Formula Anonymous: ABC7
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -134.98406462
  • Final energy per atom: -7.499114701111111
  • 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.