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  1. Third-Parties
  2. MatprojStructure
  3. mp-29226

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-29226
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 3
  • Element list: ['Ca', 'Ga', 'O']
  • Chemical System: Ca-Ga-O
  • Density: 4.083633192617933
  • Atomic Density: 0.07244715492405018
  • Unit Cell Volume: 662.5518980051141
  • Molar Volume: 8.312459980399918
  • Full Formula: Ca9 Ga12 O27
  • Reduced Formula: Ca3Ga4O9
  • Formula Anonymous: A3B4C9
  • Spacegroup Number: 35
  • Spacegroup Symbol: Cmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -319.44918508
  • Final energy per atom: -6.655191355833334
  • 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.