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  1. Third-Parties
  2. MatprojStructure
  3. mp-1443834

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-1443834
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 4
  • Element list: ['Ca', 'Ta', 'W', 'O']
  • Chemical System: Ca-O-Ta-W
  • Density: 6.898925539642619
  • Atomic Density: 0.0768038584718526
  • Unit Cell Volume: 130.20179192774333
  • Molar Volume: 7.8409351819310205
  • Full Formula: Ca2 Ta1 W1 O6
  • Reduced Formula: Ca2TaWO6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -88.58111353
  • Final energy per atom: -8.858111353
  • 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.