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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214038

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-1214038
  • 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: 23
  • Number of elements: 5
  • Element list: ['Ca', 'Nb', 'Ga', 'Si', 'O']
  • Chemical System: Ca-Ga-Nb-O-Si
  • Density: 3.972191840461837
  • Atomic Density: 0.07832131085666635
  • Unit Cell Volume: 293.66209207212654
  • Molar Volume: 7.689019366671418
  • Full Formula: Ca3 Nb1 Ga3 Si2 O14
  • Reduced Formula: Ca3NbGa3(SiO7)2
  • Formula Anonymous: AB2C3D3E14
  • Spacegroup Number: 150
  • Spacegroup Symbol: P321
  • Crystal System: trigonal
  • Pointgroup: 321

Thermodynamics:

  • Final energy: -174.95866095
  • Final energy per atom: -7.606898302173913
  • 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.