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  1. Third-Parties
  2. MatprojStructure
  3. mp-1182269

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-1182269
  • 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: 12
  • Number of elements: 2
  • Element list: ['Be', 'O']
  • Chemical System: Be-O
  • Density: 2.413102848150735
  • Atomic Density: 0.10630356296961578
  • Unit Cell Volume: 112.88426901956146
  • Molar Volume: 5.665041313545887
  • Full Formula: Be4 O8
  • Reduced Formula: BeO2
  • Formula Anonymous: AB2
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -73.51057872999999
  • Final energy per atom: -6.125881560833332
  • 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.