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  1. Third-Parties
  2. MatprojStructure
  3. mp-1233372

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-1233372
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 19
  • Number of elements: 4
  • Element list: ['Ca', 'Ga', 'W', 'O']
  • Chemical System: Ca-Ga-O-W
  • Density: 6.752571321315728
  • Atomic Density: 0.08793491109881664
  • Unit Cell Volume: 216.06890554138158
  • Molar Volume: 6.848407173838652
  • Full Formula: Ca1 Ga4 W2 O12
  • Reduced Formula: CaGa4(WO6)2
  • Formula Anonymous: AB2C4D12
  • Spacegroup Number: 81
  • Spacegroup Symbol: P-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -138.83030358
  • Final energy per atom: -7.306858083157894
  • 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.