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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221096

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-1221096
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['Na', 'Ca', 'Ta', 'O']
  • Chemical System: Ca-Na-O-Ta
  • Density: 5.849643126613741
  • Atomic Density: 0.06993171107157663
  • Unit Cell Volume: 228.7946305735842
  • Molar Volume: 8.611459190289523
  • Full Formula: Na1 Ca2 Ta3 O10
  • Reduced Formula: NaCa2Ta3O10
  • Formula Anonymous: AB2C3D10
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -143.32307228
  • Final energy per atom: -8.9576920175
  • 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.