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  1. Third-Parties
  2. MatprojStructure
  3. mp-22172

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-22172
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['U', 'Cr', 'O']
  • Chemical System: Cr-O-U
  • Density: 6.964240683001815
  • Atomic Density: 0.08617389273922865
  • Unit Cell Volume: 104.43998424482174
  • Molar Volume: 6.98835873438332
  • Full Formula: U1 Cr2 O6
  • Reduced Formula: UCr2O6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 162
  • Spacegroup Symbol: P-31m
  • Crystal System: trigonal
  • Pointgroup: -31m

Thermodynamics:

  • Final energy: -86.38129635
  • Final energy per atom: -9.597921816666666
  • 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.