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  1. Third-Parties
  2. MatprojStructure
  3. mp-728519

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-728519
  • 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: 66
  • Number of elements: 6
  • Element list: ['K', 'Na', 'Ca', 'Ti', 'Si', 'O']
  • Chemical System: Ca-K-Na-O-Si-Ti
  • Density: 2.714355082290089
  • Atomic Density: 0.07232884477985477
  • Unit Cell Volume: 912.4990202855072
  • Molar Volume: 8.326056884123362
  • Full Formula: K4 Na2 Ca4 Ti2 Si14 O40
  • Reduced Formula: K2NaCa2TiSi7O20
  • Formula Anonymous: ABC2D2E7F20
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -280.68224795
  • Final energy per atom: -4.252761332575758
  • 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.