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  1. Third-Parties
  2. MatprojStructure
  3. mp-558498

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-558498
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 4
  • Element list: ['Zn', 'Ga', 'N', 'O']
  • Chemical System: Ga-N-O-Zn
  • Density: 5.615649453108245
  • Atomic Density: 0.08191503106096468
  • Unit Cell Volume: 390.6486951849439
  • Molar Volume: 7.351691969106458
  • Full Formula: Zn8 Ga8 N8 O8
  • Reduced Formula: ZnGaNO
  • Formula Anonymous: ABCD
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1

Thermodynamics:

  • Final energy: -177.35986392
  • Final energy per atom: -5.5424957475
  • 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.