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  1. Third-Parties
  2. MatprojStructure
  3. mp-530844

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-530844
  • 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: 55
  • Number of elements: 3
  • Element list: ['Ga', 'N', 'O']
  • Chemical System: Ga-N-O
  • Density: 5.915699917233446
  • Atomic Density: 0.0930538413991766
  • Unit Cell Volume: 591.0556638286904
  • Molar Volume: 6.4716734628574795
  • Full Formula: Ga23 N5 O27
  • Reduced Formula: Ga23N5O27
  • Formula Anonymous: A5B23C27
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -349.90280913
  • Final energy per atom: -6.361869256909091
  • 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.