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  1. Third-Parties
  2. MatprojStructure
  3. mp-1178405

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-1178405
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Cs', 'Hf', 'O']
  • Chemical System: Cs-Hf-O
  • Density: 6.131779162371922
  • Atomic Density: 0.04500488051199202
  • Unit Cell Volume: 266.63774825049194
  • Molar Volume: 13.381083765782552
  • Full Formula: Cs4 Hf2 O6
  • Reduced Formula: Cs2HfO3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -87.11360564
  • Final energy per atom: -7.259467136666667
  • 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.