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  1. Third-Parties
  2. MatprojStructure
  3. mp-756183

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-756183
  • 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: 6
  • Number of elements: 3
  • Element list: ['Cr', 'Ga', 'O']
  • Chemical System: Cr-Ga-O
  • Density: 5.046067542214551
  • Atomic Density: 0.09817575597946149
  • Unit Cell Volume: 61.114884628494316
  • Molar Volume: 6.134040629399218
  • Full Formula: Cr1 Ga1 O4
  • Reduced Formula: CrGaO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -43.7346129
  • Final energy per atom: -7.289102150000001
  • 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.