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  1. Third-Parties
  2. MatprojStructure
  3. mp-757917

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-757917
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 3
  • Element list: ['Be', 'Ga', 'O']
  • Chemical System: Be-Ga-O
  • Density: 4.420153780293785
  • Atomic Density: 0.08770366992639402
  • Unit Cell Volume: 478.8853195681415
  • Molar Volume: 6.866463815087929
  • Full Formula: Be6 Ga12 O24
  • Reduced Formula: Be(GaO2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 145
  • Spacegroup Symbol: P3_2
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -282.91256677
  • Final energy per atom: -6.73601349452381
  • 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.