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  1. Third-Parties
  2. MatprojStructure
  3. mp-679

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-679
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 2
  • Element list: ['Er', 'O']
  • Chemical System: Er-O
  • Density: 8.653693642404207
  • Atomic Density: 0.06811967862600937
  • Unit Cell Volume: 587.201830760359
  • Molar Volume: 8.84053019842145
  • Full Formula: Er16 O24
  • Reduced Formula: Er2O3
  • Formula Anonymous: A2B3
  • Spacegroup Number: 206
  • Spacegroup Symbol: Ia-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -354.11832896
  • Final energy per atom: -8.852958224
  • 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.