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  1. Third-Parties
  2. MatprojStructure
  3. mp-694049

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-694049
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 6
  • Element list: ['Na', 'Ca', 'Ta', 'Ti', 'Si', 'O']
  • Chemical System: Ca-Na-O-Si-Ta-Ti
  • Density: 3.775522846627666
  • Atomic Density: 0.0829709138017225
  • Unit Cell Volume: 964.1933098528701
  • Molar Volume: 7.258134789730349
  • Full Formula: Na2 Ca8 Ta2 Ti8 Si10 O50
  • Reduced Formula: NaCa4TaTi4(SiO5)5
  • Formula Anonymous: ABC4D4E5F25
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -680.00972586
  • Final energy per atom: -8.50012157325
  • 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.